Mercury in PDB 2tpi: On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Enzymatic activity of On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
All present enzymatic activity of On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography:
3.4.21.4;
Protein crystallography data
The structure of On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography, PDB code: 2tpi
was solved by
J.Walter,
W.Steigemann,
T.P.Singh,
H.Bartunik,
W.Bode,
R.Huber,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
6.50 /
2.10
|
Space group
|
I 2 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
75.670,
84.160,
122.890,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20 /
n/a
|
Mercury Binding Sites:
The binding sites of Mercury atom in the On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
(pdb code 2tpi). This binding sites where shown within
5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the
On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography, PDB code: 2tpi:
Jump to Mercury binding site number:
1;
2;
3;
Mercury binding site 1 out
of 3 in 2tpi
Go back to
Mercury Binding Sites List in 2tpi
Mercury binding site 1 out
of 3 in the On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 1 of On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Z:Hg1
b:85.2
occ:0.33
|
HG
|
Z:HG1
|
0.0
|
85.2
|
0.3
|
SG
|
Z:CYS220
|
1.6
|
37.8
|
0.3
|
HG
|
Z:HG1
|
1.8
|
49.2
|
0.3
|
SG
|
Z:CYS220
|
2.3
|
60.0
|
0.3
|
SG
|
Z:CYS191
|
2.3
|
60.0
|
0.3
|
SG
|
Z:CYS191
|
2.5
|
37.8
|
0.3
|
O
|
Z:HOH596
|
2.6
|
25.0
|
1.0
|
CB
|
Z:CYS220
|
2.9
|
45.0
|
0.3
|
HG
|
Z:HG1
|
3.1
|
83.1
|
0.3
|
CB
|
Z:CYS220
|
3.2
|
45.0
|
0.3
|
CB
|
Z:CYS220
|
3.2
|
27.8
|
0.3
|
CB
|
Z:CYS191
|
3.4
|
45.0
|
0.3
|
O
|
Z:SER146
|
3.5
|
27.0
|
1.0
|
O
|
Z:LYS145
|
3.6
|
22.0
|
1.0
|
O
|
Z:HOH498
|
3.6
|
23.5
|
1.0
|
SG
|
Z:CYS220
|
3.6
|
60.0
|
0.3
|
CB
|
Z:CYS191
|
3.8
|
27.8
|
0.3
|
CB
|
Z:CYS191
|
4.0
|
45.0
|
0.3
|
OE1
|
Z:GLN192
|
4.0
|
18.4
|
1.0
|
C
|
Z:SER146
|
4.1
|
27.0
|
1.0
|
O
|
Z:HOH566
|
4.2
|
31.8
|
1.0
|
CA
|
Z:CYS220
|
4.2
|
22.8
|
1.0
|
CA
|
Z:CYS191
|
4.3
|
22.8
|
1.0
|
ND2
|
Z:ASN143
|
4.3
|
18.4
|
1.0
|
N
|
Z:CYS220
|
4.3
|
22.8
|
1.0
|
O
|
Z:HOH502
|
4.3
|
29.4
|
1.0
|
CA
|
Z:SER146
|
4.3
|
27.0
|
1.0
|
SG
|
Z:CYS191
|
4.4
|
60.0
|
0.3
|
O
|
Z:CYS220
|
4.5
|
22.8
|
1.0
|
C
|
Z:LYS145
|
4.6
|
22.0
|
1.0
|
C
|
Z:CYS220
|
4.6
|
22.8
|
1.0
|
CB
|
Z:ASN143
|
4.7
|
16.9
|
1.0
|
CG
|
Z:ASN143
|
4.7
|
18.4
|
1.0
|
N
|
Z:GLN192
|
4.8
|
17.1
|
1.0
|
CD
|
Z:GLN192
|
4.9
|
18.4
|
1.0
|
N
|
Z:SER146
|
4.9
|
27.0
|
1.0
|
C
|
Z:GLY219
|
4.9
|
14.4
|
1.0
|
CG1
|
Z:VAL1017
|
5.0
|
15.1
|
1.0
|
|
Mercury binding site 2 out
of 3 in 2tpi
Go back to
Mercury Binding Sites List in 2tpi
Mercury binding site 2 out
of 3 in the On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 2 of On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Z:Hg1
b:49.2
occ:0.33
|
HG
|
Z:HG1
|
0.0
|
49.2
|
0.3
|
HG
|
Z:HG1
|
1.7
|
83.1
|
0.3
|
HG
|
Z:HG1
|
1.8
|
85.2
|
0.3
|
SG
|
Z:CYS220
|
2.3
|
37.8
|
0.3
|
SG
|
Z:CYS191
|
2.4
|
37.8
|
0.3
|
SG
|
Z:CYS220
|
2.7
|
60.0
|
0.3
|
CB
|
Z:CYS220
|
2.7
|
45.0
|
0.3
|
SG
|
Z:CYS191
|
2.9
|
60.0
|
0.3
|
CB
|
Z:CYS220
|
3.1
|
45.0
|
0.3
|
CB
|
Z:CYS220
|
3.2
|
27.8
|
0.3
|
O
|
Z:LYS145
|
3.2
|
22.0
|
1.0
|
SG
|
Z:CYS220
|
3.2
|
60.0
|
0.3
|
CG1
|
Z:VAL1017
|
3.3
|
15.1
|
1.0
|
CB
|
Z:CYS191
|
3.3
|
45.0
|
0.3
|
CA
|
Z:SER146
|
3.3
|
27.0
|
1.0
|
CB
|
Z:CYS191
|
3.5
|
27.8
|
0.3
|
O
|
Z:SER146
|
3.5
|
27.0
|
1.0
|
O
|
Z:HOH596
|
3.6
|
25.0
|
1.0
|
SG
|
Z:CYS191
|
3.7
|
60.0
|
0.3
|
C
|
Z:SER146
|
3.8
|
27.0
|
1.0
|
C
|
Z:LYS145
|
3.8
|
22.0
|
1.0
|
O
|
Z:CYS220
|
3.8
|
22.8
|
1.0
|
N
|
Z:SER146
|
3.8
|
27.0
|
1.0
|
C
|
Z:CYS220
|
3.9
|
22.8
|
1.0
|
CA
|
Z:CYS220
|
4.0
|
22.8
|
1.0
|
CB
|
Z:CYS191
|
4.0
|
45.0
|
0.3
|
CB
|
Z:VAL1017
|
4.3
|
20.0
|
1.0
|
CA
|
Z:CYS191
|
4.4
|
22.8
|
1.0
|
CB
|
Z:SER146
|
4.5
|
27.0
|
1.0
|
N
|
Z:CYS220
|
4.6
|
22.8
|
1.0
|
N
|
Z:ALA221A
|
4.7
|
17.7
|
1.0
|
CB
|
Z:ALA221A
|
4.7
|
17.7
|
1.0
|
OG
|
Z:SER146
|
4.8
|
0.0
|
0.0
|
O
|
Z:HOH566
|
4.8
|
31.8
|
1.0
|
O
|
Z:ASN143
|
4.8
|
16.9
|
1.0
|
N
|
Z:SER147
|
4.9
|
29.4
|
1.0
|
CA
|
Z:LYS145
|
5.0
|
22.0
|
1.0
|
CG2
|
Z:VAL1017
|
5.0
|
15.1
|
1.0
|
O
|
Z:SER190
|
5.0
|
19.5
|
1.0
|
|
Mercury binding site 3 out
of 3 in 2tpi
Go back to
Mercury Binding Sites List in 2tpi
Mercury binding site 3 out
of 3 in the On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 3 of On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Z:Hg1
b:83.1
occ:0.33
|
HG
|
Z:HG1
|
0.0
|
83.1
|
0.3
|
HG
|
Z:HG1
|
1.7
|
49.2
|
0.3
|
CG1
|
Z:VAL1017
|
2.0
|
15.1
|
1.0
|
SG
|
Z:CYS191
|
2.1
|
37.8
|
0.3
|
SG
|
Z:CYS191
|
2.3
|
60.0
|
0.3
|
SG
|
Z:CYS220
|
2.3
|
60.0
|
0.3
|
CB
|
Z:CYS191
|
2.5
|
27.8
|
0.3
|
CB
|
Z:CYS191
|
2.5
|
45.0
|
0.3
|
SG
|
Z:CYS191
|
3.0
|
60.0
|
0.3
|
HG
|
Z:HG1
|
3.1
|
85.2
|
0.3
|
CB
|
Z:VAL1017
|
3.2
|
20.0
|
1.0
|
CB
|
Z:CYS191
|
3.2
|
45.0
|
0.3
|
CB
|
Z:CYS220
|
3.4
|
45.0
|
0.3
|
SG
|
Z:CYS220
|
3.5
|
37.8
|
0.3
|
O
|
Z:ASN143
|
3.6
|
16.9
|
1.0
|
CB
|
Z:CYS220
|
3.7
|
45.0
|
0.3
|
CA
|
Z:CYS191
|
3.7
|
22.8
|
1.0
|
CB
|
Z:CYS220
|
3.7
|
27.8
|
0.3
|
N
|
Z:VAL1017
|
3.9
|
20.0
|
1.0
|
O
|
Z:LYS145
|
4.0
|
22.0
|
1.0
|
CA
|
Z:VAL1017
|
4.1
|
20.0
|
1.0
|
N
|
Z:CYS191
|
4.1
|
22.8
|
1.0
|
O
|
Z:SER190
|
4.2
|
19.5
|
1.0
|
SG
|
Z:CYS220
|
4.2
|
60.0
|
0.3
|
CG2
|
Z:VAL1017
|
4.3
|
15.1
|
1.0
|
C
|
Z:LYS145
|
4.3
|
22.0
|
1.0
|
CA
|
Z:SER146
|
4.3
|
27.0
|
1.0
|
O
|
Z:ASP189
|
4.3
|
20.3
|
1.0
|
C
|
Z:SER190
|
4.3
|
19.5
|
1.0
|
C
|
Z:ASN143
|
4.5
|
16.9
|
1.0
|
N
|
Z:SER146
|
4.5
|
27.0
|
1.0
|
C
|
Z:CYS220
|
4.6
|
22.8
|
1.0
|
C
|
Z:ILE1016
|
4.7
|
20.6
|
1.0
|
CA
|
Z:CYS220
|
4.7
|
22.8
|
1.0
|
CB
|
Z:ALA221A
|
4.8
|
17.7
|
1.0
|
N
|
Z:LYS145
|
4.8
|
22.0
|
1.0
|
C
|
Z:ASP189
|
4.8
|
20.3
|
1.0
|
CB
|
Z:ASN143
|
4.9
|
16.9
|
1.0
|
O
|
Z:CYS220
|
4.9
|
22.8
|
1.0
|
CB
|
Z:ASP189
|
5.0
|
20.3
|
1.0
|
O
|
Z:HOH596
|
5.0
|
25.0
|
1.0
|
C
|
Z:THR144
|
5.0
|
20.8
|
1.0
|
|
Reference:
J.Walter,
W.Steigemann,
T.P.Singh,
H.Bartunik,
W.Bode,
R.Huber.
On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography Acta Crystallogr.,Sect.B V. 38 1462 1982.
ISSN: ISSN 0108-7681
Page generated: Sun Aug 11 02:59:05 2024
|