Mercury in PDB 5ko2: Mouse Pgp 34 Linker Deleted Mutant Hg Derivative
Enzymatic activity of Mouse Pgp 34 Linker Deleted Mutant Hg Derivative
All present enzymatic activity of Mouse Pgp 34 Linker Deleted Mutant Hg Derivative:
3.6.3.44;
Protein crystallography data
The structure of Mouse Pgp 34 Linker Deleted Mutant Hg Derivative, PDB code: 5ko2
was solved by
D.Xia,
L.Esser,
F.Zhou,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
33.54 /
3.30
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
98.185,
114.741,
375.431,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
24.3 /
28.5
|
Mercury Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
14;
Binding sites:
The binding sites of Mercury atom in the Mouse Pgp 34 Linker Deleted Mutant Hg Derivative
(pdb code 5ko2). This binding sites where shown within
5.0 Angstroms radius around Mercury atom.
In total 14 binding sites of Mercury where determined in the
Mouse Pgp 34 Linker Deleted Mutant Hg Derivative, PDB code: 5ko2:
Jump to Mercury binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Mercury binding site 1 out
of 14 in 5ko2
Go back to
Mercury Binding Sites List in 5ko2
Mercury binding site 1 out
of 14 in the Mouse Pgp 34 Linker Deleted Mutant Hg Derivative
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 1 of Mouse Pgp 34 Linker Deleted Mutant Hg Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg1301
b:0.4
occ:1.00
|
SG
|
A:CYS133
|
2.3
|
0.9
|
1.0
|
HB2
|
A:CYS133
|
2.5
|
0.6
|
1.0
|
CB
|
A:CYS133
|
3.0
|
0.0
|
1.0
|
HB3
|
A:CYS133
|
3.6
|
0.6
|
1.0
|
OD2
|
A:ASP184
|
3.7
|
0.2
|
1.0
|
HE2
|
A:LYS930
|
3.7
|
0.3
|
1.0
|
HA
|
A:CYS133
|
3.9
|
0.3
|
1.0
|
HD2
|
A:PHE934
|
3.9
|
0.4
|
1.0
|
CA
|
A:CYS133
|
4.0
|
0.7
|
1.0
|
H
|
A:ASP184
|
4.1
|
0.1
|
1.0
|
HB3
|
A:ASP184
|
4.4
|
0.4
|
1.0
|
HZ3
|
A:LYS930
|
4.5
|
0.7
|
1.0
|
CG
|
A:ASP184
|
4.5
|
98.5
|
1.0
|
CE
|
A:LYS930
|
4.6
|
0.1
|
1.0
|
HD3
|
A:LYS930
|
4.6
|
0.9
|
1.0
|
HA
|
A:ALA931
|
4.7
|
85.7
|
1.0
|
HG13
|
A:VAL129
|
4.7
|
81.8
|
1.0
|
HG2
|
A:LYS930
|
4.7
|
0.9
|
1.0
|
HA3
|
A:GLY183
|
4.8
|
0.9
|
1.0
|
HB2
|
A:PHE934
|
4.8
|
0.3
|
1.0
|
CD2
|
A:PHE934
|
4.8
|
0.8
|
1.0
|
NZ
|
A:LYS930
|
4.9
|
0.5
|
1.0
|
HB2
|
A:ALA931
|
4.9
|
85.9
|
1.0
|
N
|
A:ASP184
|
4.9
|
88.4
|
1.0
|
HZ1
|
A:LYS930
|
4.9
|
0.7
|
1.0
|
HG12
|
A:VAL129
|
4.9
|
81.8
|
1.0
|
H
|
A:CYS133
|
4.9
|
0.5
|
1.0
|
N
|
A:CYS133
|
5.0
|
0.4
|
1.0
|
CB
|
A:ASP184
|
5.0
|
97.8
|
1.0
|
|
Mercury binding site 2 out
of 14 in 5ko2
Go back to
Mercury Binding Sites List in 5ko2
Mercury binding site 2 out
of 14 in the Mouse Pgp 34 Linker Deleted Mutant Hg Derivative
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 2 of Mouse Pgp 34 Linker Deleted Mutant Hg Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg1302
b:0.2
occ:1.00
|
HZ1
|
A:LYS429
|
2.2
|
0.1
|
1.0
|
HE2
|
A:LYS429
|
2.2
|
0.7
|
1.0
|
SG
|
A:CYS427
|
2.4
|
0.5
|
1.0
|
HZ3
|
A:LYS429
|
2.5
|
0.1
|
1.0
|
NZ
|
A:LYS429
|
2.6
|
0.8
|
1.0
|
O
|
A:ASN424
|
2.7
|
0.6
|
1.0
|
CE
|
A:LYS429
|
2.8
|
0.1
|
1.0
|
HA
|
A:SER425
|
3.1
|
0.3
|
1.0
|
HE3
|
A:LYS429
|
3.3
|
0.7
|
1.0
|
H
|
A:CYS427
|
3.4
|
0.0
|
1.0
|
HZ2
|
A:LYS429
|
3.4
|
0.1
|
1.0
|
C
|
A:ASN424
|
3.8
|
0.7
|
1.0
|
HG3
|
A:LYS429
|
3.8
|
0.3
|
1.0
|
CA
|
A:SER425
|
4.0
|
0.6
|
1.0
|
H
|
A:GLY426
|
4.0
|
0.4
|
1.0
|
HB2
|
A:LYS429
|
4.0
|
0.1
|
1.0
|
H
|
A:GLY428
|
4.1
|
0.3
|
1.0
|
CD
|
A:LYS429
|
4.1
|
0.3
|
1.0
|
H
|
A:LYS429
|
4.1
|
0.9
|
1.0
|
CB
|
A:CYS427
|
4.1
|
0.8
|
1.0
|
N
|
A:CYS427
|
4.2
|
0.2
|
1.0
|
N
|
A:GLY426
|
4.3
|
0.8
|
1.0
|
N
|
A:SER425
|
4.3
|
0.3
|
1.0
|
CG
|
A:LYS429
|
4.4
|
0.3
|
1.0
|
HD3
|
A:LYS429
|
4.4
|
0.4
|
1.0
|
C
|
A:SER425
|
4.4
|
0.6
|
1.0
|
HB3
|
A:CYS427
|
4.5
|
0.9
|
1.0
|
HB2
|
A:CYS427
|
4.6
|
0.9
|
1.0
|
NE2
|
A:HIS583
|
4.6
|
0.8
|
1.0
|
CB
|
A:LYS429
|
4.7
|
0.2
|
1.0
|
CA
|
A:CYS427
|
4.8
|
0.4
|
1.0
|
HD2
|
A:LYS429
|
4.8
|
0.4
|
1.0
|
N
|
A:GLY428
|
4.8
|
0.7
|
1.0
|
N
|
A:LYS429
|
4.9
|
0.4
|
1.0
|
O
|
A:GLY423
|
4.9
|
0.9
|
1.0
|
HE1
|
A:HIS583
|
5.0
|
0.2
|
1.0
|
C
|
A:GLY423
|
5.0
|
0.9
|
1.0
|
N
|
A:ASN424
|
5.0
|
0.1
|
1.0
|
|
Mercury binding site 3 out
of 14 in 5ko2
Go back to
Mercury Binding Sites List in 5ko2
Mercury binding site 3 out
of 14 in the Mouse Pgp 34 Linker Deleted Mutant Hg Derivative
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 3 of Mouse Pgp 34 Linker Deleted Mutant Hg Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg1303
b:0.9
occ:1.00
|
HB2
|
A:GLN769
|
2.1
|
0.6
|
1.0
|
SG
|
A:CYS713
|
2.3
|
0.9
|
1.0
|
OE1
|
A:GLN769
|
2.8
|
1.0
|
1.0
|
CB
|
A:GLN769
|
3.0
|
0.2
|
1.0
|
HA
|
A:ALA714
|
3.0
|
0.7
|
1.0
|
O
|
A:CYS713
|
3.0
|
1.0
|
1.0
|
C
|
A:CYS713
|
3.1
|
0.4
|
1.0
|
HB3
|
A:CYS713
|
3.2
|
0.6
|
1.0
|
O
|
A:THR765
|
3.2
|
0.1
|
1.0
|
CB
|
A:CYS713
|
3.2
|
0.7
|
1.0
|
HG3
|
A:GLN769
|
3.3
|
0.9
|
1.0
|
N
|
A:ALA714
|
3.3
|
0.3
|
1.0
|
HB
|
A:THR765
|
3.4
|
0.7
|
1.0
|
HA
|
A:GLN769
|
3.4
|
0.8
|
1.0
|
CG
|
A:GLN769
|
3.4
|
0.7
|
1.0
|
CD
|
A:GLN769
|
3.5
|
0.9
|
1.0
|
CA
|
A:ALA714
|
3.6
|
0.1
|
1.0
|
CA
|
A:GLN769
|
3.7
|
0.7
|
1.0
|
HB3
|
A:GLN769
|
3.7
|
0.6
|
1.0
|
CA
|
A:CYS713
|
3.7
|
1.0
|
1.0
|
H
|
A:ALA714
|
3.7
|
0.0
|
1.0
|
H
|
A:GLN769
|
3.8
|
0.8
|
1.0
|
HB2
|
A:ASN717
|
3.9
|
0.3
|
1.0
|
N
|
A:GLN769
|
4.0
|
0.8
|
1.0
|
HB2
|
A:ALA714
|
4.0
|
0.4
|
1.0
|
C
|
A:THR765
|
4.1
|
0.4
|
1.0
|
HB2
|
A:CYS713
|
4.1
|
0.6
|
1.0
|
HA
|
A:CYS713
|
4.2
|
0.2
|
1.0
|
CB
|
A:THR765
|
4.3
|
0.9
|
1.0
|
HA
|
A:THR765
|
4.3
|
0.3
|
1.0
|
HG2
|
A:GLN769
|
4.4
|
0.9
|
1.0
|
CB
|
A:ALA714
|
4.4
|
0.0
|
1.0
|
HB3
|
A:ASN717
|
4.5
|
0.3
|
1.0
|
O
|
A:GLY710
|
4.5
|
0.0
|
1.0
|
CA
|
A:THR765
|
4.5
|
0.6
|
1.0
|
HA2
|
A:GLY710
|
4.6
|
0.6
|
1.0
|
CB
|
A:ASN717
|
4.7
|
92.8
|
1.0
|
H
|
A:ASN717
|
4.7
|
0.9
|
1.0
|
HG22
|
A:THR765
|
4.8
|
0.7
|
1.0
|
NE2
|
A:GLN769
|
4.8
|
0.8
|
1.0
|
C
|
A:ALA714
|
4.8
|
0.1
|
1.0
|
HA
|
A:PHE766
|
4.9
|
0.8
|
1.0
|
N
|
A:CYS713
|
4.9
|
0.5
|
1.0
|
HB1
|
A:ALA714
|
4.9
|
0.4
|
1.0
|
HB2
|
A:LEU768
|
5.0
|
0.2
|
1.0
|
|
Mercury binding site 4 out
of 14 in 5ko2
Go back to
Mercury Binding Sites List in 5ko2
Mercury binding site 4 out
of 14 in the Mouse Pgp 34 Linker Deleted Mutant Hg Derivative
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 4 of Mouse Pgp 34 Linker Deleted Mutant Hg Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg1304
b:0.8
occ:1.00
|
SG
|
A:CYS952
|
2.3
|
0.8
|
1.0
|
CE1
|
A:PHE953
|
2.7
|
0.7
|
1.0
|
CD1
|
A:PHE953
|
2.8
|
0.7
|
1.0
|
CZ
|
A:PHE953
|
2.9
|
0.7
|
1.0
|
CG
|
A:PHE953
|
3.1
|
0.1
|
1.0
|
HE1
|
A:PHE953
|
3.1
|
0.4
|
1.0
|
CE2
|
A:PHE953
|
3.1
|
0.2
|
1.0
|
HD1
|
A:PHE953
|
3.2
|
0.2
|
1.0
|
CD2
|
A:PHE953
|
3.2
|
0.9
|
1.0
|
HB2
|
A:PHE974
|
3.3
|
1.0
|
1.0
|
HZ
|
A:PHE953
|
3.4
|
0.2
|
1.0
|
HA
|
A:PHE953
|
3.5
|
0.5
|
1.0
|
HD1
|
A:PHE974
|
3.5
|
0.4
|
1.0
|
HG13
|
A:VAL970
|
3.6
|
0.0
|
1.0
|
HB3
|
A:CYS952
|
3.7
|
0.3
|
1.0
|
CB
|
A:CYS952
|
3.7
|
0.8
|
1.0
|
N
|
A:PHE953
|
3.7
|
0.0
|
1.0
|
HE2
|
A:PHE953
|
3.8
|
0.5
|
1.0
|
CD1
|
A:PHE974
|
3.8
|
0.5
|
1.0
|
H
|
A:PHE953
|
3.9
|
0.0
|
1.0
|
HD2
|
A:PHE953
|
3.9
|
0.9
|
1.0
|
C
|
A:CYS952
|
3.9
|
0.1
|
1.0
|
CA
|
A:PHE953
|
3.9
|
0.6
|
1.0
|
CG
|
A:PHE974
|
4.0
|
0.7
|
1.0
|
CB
|
A:PHE974
|
4.0
|
0.1
|
1.0
|
CB
|
A:PHE953
|
4.1
|
0.1
|
1.0
|
HG12
|
A:VAL970
|
4.1
|
0.0
|
1.0
|
CG1
|
A:VAL970
|
4.1
|
0.3
|
1.0
|
HG11
|
A:VAL970
|
4.1
|
0.0
|
1.0
|
O
|
A:CYS952
|
4.3
|
0.8
|
1.0
|
HB3
|
A:PHE974
|
4.4
|
1.0
|
1.0
|
HB2
|
A:CYS952
|
4.4
|
0.3
|
1.0
|
HD21
|
A:LEU853
|
4.4
|
0.3
|
1.0
|
CA
|
A:CYS952
|
4.4
|
0.3
|
1.0
|
CE1
|
A:PHE974
|
4.5
|
0.1
|
1.0
|
HB2
|
A:PHE953
|
4.6
|
0.9
|
1.0
|
HE1
|
A:PHE974
|
4.7
|
0.9
|
1.0
|
HB3
|
A:PHE953
|
4.7
|
0.9
|
1.0
|
HA3
|
A:GLY956
|
4.8
|
0.6
|
1.0
|
HD11
|
A:LEU857
|
4.9
|
96.2
|
1.0
|
HD11
|
A:LEU853
|
4.9
|
0.5
|
1.0
|
CD2
|
A:PHE974
|
4.9
|
0.5
|
1.0
|
HA
|
A:CYS952
|
4.9
|
0.9
|
1.0
|
|
Mercury binding site 5 out
of 14 in 5ko2
Go back to
Mercury Binding Sites List in 5ko2
Mercury binding site 5 out
of 14 in the Mouse Pgp 34 Linker Deleted Mutant Hg Derivative
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 5 of Mouse Pgp 34 Linker Deleted Mutant Hg Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg1305
b:0.4
occ:1.00
|
HE3
|
A:LYS1072
|
2.2
|
0.8
|
1.0
|
SG
|
A:CYS1070
|
2.4
|
0.3
|
1.0
|
HG2
|
A:LYS1072
|
2.7
|
0.1
|
1.0
|
O
|
A:SER1067
|
2.7
|
0.3
|
1.0
|
H
|
A:CYS1070
|
3.1
|
0.8
|
1.0
|
CE
|
A:LYS1072
|
3.1
|
0.6
|
1.0
|
CG
|
A:LYS1072
|
3.5
|
0.3
|
1.0
|
HA
|
A:SER1068
|
3.6
|
0.8
|
1.0
|
CD
|
A:LYS1072
|
3.6
|
0.9
|
1.0
|
HD2
|
A:LYS1072
|
3.7
|
0.5
|
1.0
|
HE2
|
A:LYS1072
|
3.7
|
0.8
|
1.0
|
H
|
A:LYS1072
|
3.8
|
0.9
|
1.0
|
H
|
A:GLY1071
|
3.8
|
0.6
|
1.0
|
CB
|
A:CYS1070
|
3.9
|
0.0
|
1.0
|
H
|
A:GLY1069
|
3.9
|
0.3
|
1.0
|
C
|
A:SER1067
|
3.9
|
0.8
|
1.0
|
N
|
A:CYS1070
|
3.9
|
0.7
|
1.0
|
HZ2
|
A:LYS1072
|
3.9
|
0.5
|
1.0
|
HG3
|
A:LYS1072
|
4.0
|
0.1
|
1.0
|
NZ
|
A:LYS1072
|
4.0
|
0.4
|
1.0
|
HB3
|
A:CYS1070
|
4.0
|
0.2
|
1.0
|
HZ1
|
A:LYS1072
|
4.1
|
0.5
|
1.0
|
N
|
A:GLY1069
|
4.3
|
0.9
|
1.0
|
O
|
A:GLY1066
|
4.3
|
0.0
|
1.0
|
CA
|
A:SER1068
|
4.4
|
0.8
|
1.0
|
HB3
|
A:LYS1072
|
4.4
|
0.6
|
1.0
|
CA
|
A:CYS1070
|
4.5
|
0.6
|
1.0
|
C
|
A:GLY1066
|
4.5
|
0.8
|
1.0
|
N
|
A:GLY1071
|
4.6
|
0.5
|
1.0
|
CB
|
A:LYS1072
|
4.6
|
0.0
|
1.0
|
HB2
|
A:CYS1070
|
4.6
|
0.2
|
1.0
|
HD3
|
A:LYS1072
|
4.6
|
0.5
|
1.0
|
N
|
A:SER1068
|
4.6
|
0.1
|
1.0
|
C
|
A:SER1068
|
4.6
|
0.5
|
1.0
|
N
|
A:LYS1072
|
4.6
|
0.7
|
1.0
|
HA3
|
A:GLY1066
|
4.7
|
0.5
|
1.0
|
HZ3
|
A:LYS1072
|
4.8
|
0.5
|
1.0
|
N
|
A:SER1067
|
4.8
|
1.0
|
1.0
|
C
|
A:GLY1069
|
5.0
|
0.5
|
1.0
|
HE1
|
A:HIS1228
|
5.0
|
0.1
|
1.0
|
CA
|
A:SER1067
|
5.0
|
0.8
|
1.0
|
NE2
|
A:HIS1228
|
5.0
|
0.2
|
1.0
|
|
Mercury binding site 6 out
of 14 in 5ko2
Go back to
Mercury Binding Sites List in 5ko2
Mercury binding site 6 out
of 14 in the Mouse Pgp 34 Linker Deleted Mutant Hg Derivative
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 6 of Mouse Pgp 34 Linker Deleted Mutant Hg Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg1306
b:0.8
occ:1.00
|
HB2
|
A:CYS1121
|
2.1
|
0.1
|
1.0
|
HH12
|
A:ARG272
|
2.1
|
0.2
|
1.0
|
SG
|
A:CYS1121
|
2.4
|
0.7
|
1.0
|
CB
|
A:CYS1121
|
2.6
|
0.1
|
1.0
|
NH1
|
A:ARG272
|
2.7
|
0.5
|
1.0
|
HH11
|
A:ARG272
|
2.8
|
0.2
|
1.0
|
O
|
A:ASP1120
|
3.1
|
0.2
|
1.0
|
HB3
|
A:CYS1121
|
3.3
|
0.1
|
1.0
|
CA
|
A:CYS1121
|
3.7
|
0.7
|
1.0
|
HA
|
A:CYS1121
|
3.7
|
1.0
|
1.0
|
C
|
A:ASP1120
|
3.8
|
0.2
|
1.0
|
HB3
|
A:PHE1119
|
3.9
|
0.2
|
1.0
|
CZ
|
A:ARG272
|
4.0
|
0.8
|
1.0
|
N
|
A:CYS1121
|
4.1
|
0.5
|
1.0
|
HH22
|
A:ARG272
|
4.2
|
0.3
|
1.0
|
HB2
|
A:PHE1119
|
4.4
|
0.2
|
1.0
|
NH2
|
A:ARG272
|
4.5
|
0.7
|
1.0
|
CB
|
A:PHE1119
|
4.6
|
0.5
|
1.0
|
H
|
A:CYS1121
|
4.8
|
0.6
|
1.0
|
N
|
A:ASP1120
|
4.9
|
0.2
|
1.0
|
CA
|
A:ASP1120
|
4.9
|
0.4
|
1.0
|
HB2
|
A:GLU1125
|
5.0
|
1.0
|
1.0
|
|
Mercury binding site 7 out
of 14 in 5ko2
Go back to
Mercury Binding Sites List in 5ko2
Mercury binding site 7 out
of 14 in the Mouse Pgp 34 Linker Deleted Mutant Hg Derivative
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 7 of Mouse Pgp 34 Linker Deleted Mutant Hg Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg1307
b:0.3
occ:1.00
|
SG
|
A:CYS1223
|
2.3
|
0.9
|
1.0
|
O
|
A:ARG1218
|
2.5
|
0.9
|
1.0
|
HB3
|
A:ARG1218
|
2.7
|
0.8
|
1.0
|
O
|
A:GLY1059
|
2.7
|
0.6
|
1.0
|
O
|
A:ARG1221
|
2.9
|
0.8
|
1.0
|
HB2
|
A:CYS1223
|
3.1
|
0.1
|
1.0
|
OG1
|
A:THR1061
|
3.2
|
0.9
|
1.0
|
O
|
A:GLN1060
|
3.3
|
0.8
|
1.0
|
CB
|
A:CYS1223
|
3.3
|
0.9
|
1.0
|
C
|
A:ARG1218
|
3.5
|
0.5
|
1.0
|
C
|
A:GLN1060
|
3.5
|
0.7
|
1.0
|
CB
|
A:ARG1218
|
3.6
|
0.8
|
1.0
|
HG1
|
A:THR1061
|
3.6
|
0.1
|
1.0
|
HD2
|
A:ARG1218
|
3.7
|
0.2
|
1.0
|
C
|
A:GLY1059
|
3.7
|
0.7
|
1.0
|
HA
|
A:ARG1218
|
3.8
|
0.9
|
1.0
|
HA
|
A:GLN1060
|
3.9
|
0.9
|
1.0
|
CA
|
A:ARG1218
|
3.9
|
0.8
|
1.0
|
N
|
A:THR1061
|
3.9
|
0.5
|
1.0
|
HB3
|
A:CYS1223
|
4.0
|
0.1
|
1.0
|
HA
|
A:THR1061
|
4.0
|
0.7
|
1.0
|
H
|
A:ARG1221
|
4.0
|
0.5
|
1.0
|
H
|
A:CYS1223
|
4.1
|
0.3
|
1.0
|
CA
|
A:GLN1060
|
4.1
|
0.6
|
1.0
|
C
|
A:ARG1221
|
4.2
|
0.1
|
1.0
|
HB2
|
A:ARG1218
|
4.2
|
0.8
|
1.0
|
N
|
A:CYS1223
|
4.2
|
0.9
|
1.0
|
CA
|
A:THR1061
|
4.3
|
0.6
|
1.0
|
CB
|
A:THR1061
|
4.3
|
0.5
|
1.0
|
HG2
|
A:ARG1218
|
4.3
|
0.5
|
1.0
|
N
|
A:GLN1060
|
4.3
|
0.7
|
1.0
|
CG
|
A:ARG1218
|
4.4
|
0.9
|
1.0
|
CD
|
A:ARG1218
|
4.4
|
0.2
|
1.0
|
H
|
A:THR1061
|
4.4
|
0.1
|
1.0
|
HE
|
A:ARG1218
|
4.4
|
0.3
|
1.0
|
CA
|
A:CYS1223
|
4.4
|
0.8
|
1.0
|
HA2
|
A:GLY1059
|
4.5
|
0.2
|
1.0
|
HA
|
A:THR1222
|
4.6
|
1.0
|
1.0
|
N
|
A:GLU1219
|
4.7
|
0.8
|
1.0
|
N
|
A:ARG1221
|
4.7
|
0.1
|
1.0
|
HA
|
A:GLU1219
|
4.8
|
0.2
|
1.0
|
CA
|
A:GLY1059
|
4.8
|
0.0
|
1.0
|
C
|
A:THR1222
|
4.8
|
0.6
|
1.0
|
HB
|
A:THR1061
|
4.8
|
0.4
|
1.0
|
NE
|
A:ARG1218
|
4.8
|
0.4
|
1.0
|
C
|
A:GLU1219
|
5.0
|
0.3
|
1.0
|
HB2
|
A:ARG1221
|
5.0
|
0.0
|
1.0
|
|
Mercury binding site 8 out
of 14 in 5ko2
Go back to
Mercury Binding Sites List in 5ko2
Mercury binding site 8 out
of 14 in the Mouse Pgp 34 Linker Deleted Mutant Hg Derivative
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 8 of Mouse Pgp 34 Linker Deleted Mutant Hg Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Hg1301
b:0.8
occ:1.00
|
SG
|
B:CYS133
|
2.3
|
0.3
|
1.0
|
HB2
|
B:CYS133
|
2.7
|
0.9
|
1.0
|
HD2
|
B:PHE934
|
2.9
|
0.4
|
1.0
|
CB
|
B:CYS133
|
3.1
|
0.8
|
1.0
|
HE2
|
B:PHE934
|
3.2
|
0.7
|
1.0
|
HA
|
B:CYS133
|
3.5
|
0.4
|
1.0
|
CD2
|
B:PHE934
|
3.6
|
0.0
|
1.0
|
CE2
|
B:PHE934
|
3.8
|
0.5
|
1.0
|
HB3
|
B:CYS133
|
3.9
|
0.9
|
1.0
|
CA
|
B:CYS133
|
3.9
|
0.5
|
1.0
|
OD2
|
B:ASP184
|
4.0
|
1.0
|
1.0
|
HD3
|
B:LYS930
|
4.2
|
0.4
|
1.0
|
HD2
|
B:LYS930
|
4.3
|
0.4
|
1.0
|
H
|
B:ASP184
|
4.3
|
1.0
|
1.0
|
HG2
|
B:LYS930
|
4.5
|
0.6
|
1.0
|
CD
|
B:LYS930
|
4.7
|
0.0
|
1.0
|
HA3
|
B:GLY183
|
4.7
|
0.2
|
1.0
|
HB3
|
B:ASP184
|
4.8
|
0.3
|
1.0
|
CG
|
B:ASP184
|
4.8
|
0.3
|
1.0
|
O
|
B:CYS133
|
4.8
|
0.3
|
1.0
|
C
|
B:CYS133
|
4.8
|
0.6
|
1.0
|
CG
|
B:PHE934
|
4.8
|
0.6
|
1.0
|
HB2
|
B:PHE934
|
4.9
|
0.7
|
1.0
|
N
|
B:CYS133
|
4.9
|
0.1
|
1.0
|
|
Mercury binding site 9 out
of 14 in 5ko2
Go back to
Mercury Binding Sites List in 5ko2
Mercury binding site 9 out
of 14 in the Mouse Pgp 34 Linker Deleted Mutant Hg Derivative
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 9 of Mouse Pgp 34 Linker Deleted Mutant Hg Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Hg1302
b:0.4
occ:1.00
|
HZ3
|
B:LYS429
|
2.1
|
0.4
|
1.0
|
SG
|
B:CYS427
|
2.4
|
0.9
|
1.0
|
HZ1
|
B:LYS429
|
2.4
|
0.4
|
1.0
|
NZ
|
B:LYS429
|
2.6
|
0.7
|
1.0
|
H
|
B:CYS427
|
3.0
|
0.3
|
1.0
|
O
|
B:ASN424
|
3.1
|
0.5
|
1.0
|
HZ2
|
B:LYS429
|
3.2
|
0.4
|
1.0
|
HA
|
B:SER425
|
3.3
|
0.5
|
1.0
|
HE2
|
B:LYS429
|
3.4
|
0.4
|
1.0
|
H
|
B:GLY428
|
3.4
|
0.8
|
1.0
|
HG3
|
B:LYS429
|
3.6
|
0.5
|
1.0
|
H
|
B:LYS429
|
3.6
|
0.5
|
1.0
|
CE
|
B:LYS429
|
3.6
|
1.0
|
1.0
|
H
|
B:GLY426
|
3.7
|
0.5
|
1.0
|
N
|
B:CYS427
|
3.8
|
0.8
|
1.0
|
CB
|
B:CYS427
|
4.0
|
0.4
|
1.0
|
N
|
B:GLY426
|
4.0
|
0.4
|
1.0
|
CA
|
B:SER425
|
4.1
|
0.9
|
1.0
|
HB2
|
B:LYS429
|
4.1
|
0.7
|
1.0
|
C
|
B:ASN424
|
4.1
|
0.8
|
1.0
|
N
|
B:GLY428
|
4.2
|
0.3
|
1.0
|
HE3
|
B:LYS429
|
4.3
|
0.4
|
1.0
|
C
|
B:SER425
|
4.3
|
0.3
|
1.0
|
CG
|
B:LYS429
|
4.3
|
0.8
|
1.0
|
CA
|
B:CYS427
|
4.4
|
1.0
|
1.0
|
HB3
|
B:CYS427
|
4.4
|
0.3
|
1.0
|
N
|
B:LYS429
|
4.4
|
0.9
|
1.0
|
N
|
B:SER425
|
4.5
|
0.5
|
1.0
|
CD
|
B:LYS429
|
4.5
|
0.3
|
1.0
|
H
|
B:SER430
|
4.5
|
0.3
|
1.0
|
HB2
|
B:CYS427
|
4.6
|
0.3
|
1.0
|
CB
|
B:LYS429
|
4.7
|
0.7
|
1.0
|
C
|
B:CYS427
|
4.8
|
0.1
|
1.0
|
C
|
B:GLY426
|
4.8
|
0.4
|
1.0
|
CA
|
B:GLY426
|
4.9
|
0.1
|
1.0
|
HD3
|
B:LYS429
|
4.9
|
1.0
|
1.0
|
HA2
|
B:GLY426
|
4.9
|
0.1
|
1.0
|
|
Mercury binding site 10 out
of 14 in 5ko2
Go back to
Mercury Binding Sites List in 5ko2
Mercury binding site 10 out
of 14 in the Mouse Pgp 34 Linker Deleted Mutant Hg Derivative
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 10 of Mouse Pgp 34 Linker Deleted Mutant Hg Derivative within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Hg1303
b:0.5
occ:1.00
|
HB2
|
B:GLN769
|
2.2
|
0.1
|
1.0
|
SG
|
B:CYS713
|
2.4
|
0.0
|
1.0
|
OE1
|
B:GLN769
|
2.8
|
0.7
|
1.0
|
HA
|
B:ALA714
|
3.0
|
0.8
|
1.0
|
O
|
B:CYS713
|
3.0
|
0.2
|
1.0
|
CB
|
B:GLN769
|
3.1
|
0.3
|
1.0
|
O
|
B:THR765
|
3.1
|
0.0
|
1.0
|
HB
|
B:THR765
|
3.1
|
0.8
|
1.0
|
C
|
B:CYS713
|
3.1
|
0.7
|
1.0
|
HB3
|
B:CYS713
|
3.4
|
0.5
|
1.0
|
CB
|
B:CYS713
|
3.4
|
0.6
|
1.0
|
HG3
|
B:GLN769
|
3.4
|
0.1
|
1.0
|
N
|
B:ALA714
|
3.4
|
1.0
|
1.0
|
HA
|
B:GLN769
|
3.5
|
0.8
|
1.0
|
CG
|
B:GLN769
|
3.5
|
0.6
|
1.0
|
CD
|
B:GLN769
|
3.6
|
0.7
|
1.0
|
CA
|
B:ALA714
|
3.6
|
0.2
|
1.0
|
HB2
|
B:ASN717
|
3.7
|
0.6
|
1.0
|
CA
|
B:GLN769
|
3.7
|
0.8
|
1.0
|
HB3
|
B:GLN769
|
3.7
|
0.1
|
1.0
|
H
|
B:GLN769
|
3.8
|
0.1
|
1.0
|
CA
|
B:CYS713
|
3.9
|
0.9
|
1.0
|
H
|
B:ALA714
|
3.9
|
0.2
|
1.0
|
C
|
B:THR765
|
3.9
|
0.3
|
1.0
|
N
|
B:GLN769
|
4.0
|
0.8
|
1.0
|
CB
|
B:THR765
|
4.0
|
99.8
|
1.0
|
HB2
|
B:ALA714
|
4.1
|
0.1
|
1.0
|
HA
|
B:THR765
|
4.2
|
0.9
|
1.0
|
HB2
|
B:CYS713
|
4.2
|
0.5
|
1.0
|
CA
|
B:THR765
|
4.3
|
0.1
|
1.0
|
HB3
|
B:ASN717
|
4.3
|
0.6
|
1.0
|
HA
|
B:CYS713
|
4.3
|
0.3
|
1.0
|
CB
|
B:ASN717
|
4.4
|
0.8
|
1.0
|
HG2
|
B:GLN769
|
4.5
|
0.1
|
1.0
|
CB
|
B:ALA714
|
4.5
|
0.1
|
1.0
|
H
|
B:ASN717
|
4.6
|
0.8
|
1.0
|
HG22
|
B:THR765
|
4.6
|
0.5
|
1.0
|
HA
|
B:PHE766
|
4.7
|
0.4
|
1.0
|
O
|
B:GLY710
|
4.7
|
0.6
|
1.0
|
HB2
|
B:LEU768
|
4.8
|
0.6
|
1.0
|
HD22
|
B:ASN717
|
4.8
|
0.5
|
1.0
|
C
|
B:ALA714
|
4.8
|
0.5
|
1.0
|
HA2
|
B:GLY710
|
4.8
|
0.7
|
1.0
|
CG2
|
B:THR765
|
4.9
|
0.5
|
1.0
|
NE2
|
B:GLN769
|
4.9
|
0.0
|
1.0
|
OG1
|
B:THR765
|
4.9
|
0.3
|
1.0
|
N
|
B:PHE766
|
4.9
|
0.9
|
1.0
|
HB1
|
B:ALA714
|
5.0
|
0.1
|
1.0
|
C
|
B:LEU768
|
5.0
|
0.9
|
1.0
|
|
Reference:
L.Esser,
F.Zhou,
K.M.Pluchino,
J.Shiloach,
J.Ma,
W.K.Tang,
C.Gutierrez,
A.Zhang,
S.Shukla,
J.P.Madigan,
T.Zhou,
P.D.Kwong,
S.V.Ambudkar,
M.M.Gottesman,
D.Xia.
Structures of the Multidrug Transporter P-Glycoprotein Reveal Asymmetric Atp Binding and the Mechanism of Polyspecificity. J. Biol. Chem. V. 292 446 2017.
ISSN: ESSN 1083-351X
PubMed: 27864369
DOI: 10.1074/JBC.M116.755884
Page generated: Sun Aug 11 06:26:57 2024
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