Atomistry » Mercury » PDB 2o1g-3b4f » 3a0w
Atomistry »
  Mercury »
    PDB 2o1g-3b4f »
      3a0w »

Mercury in PDB 3a0w: Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic)

Enzymatic activity of Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic)

All present enzymatic activity of Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic):
2.7.13.3;

Protein crystallography data

The structure of Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic), PDB code: 3a0w was solved by S.Yamada, H.Sugimoto, M.Kobayashi, A.Ohno, H.Nakamura, Y.Shiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.69
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.092, 61.148, 90.287, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 24

Mercury Binding Sites:

The binding sites of Mercury atom in the Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic) (pdb code 3a0w). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 7 binding sites of Mercury where determined in the Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic), PDB code: 3a0w:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7;

Mercury binding site 1 out of 7 in 3a0w

Go back to Mercury Binding Sites List in 3a0w
Mercury binding site 1 out of 7 in the Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg801

b:29.8
occ:0.30
HG A:EMC801 0.0 29.8 0.3
C1 A:EMC801 2.3 27.7 0.3
SG A:CYS634 2.5 24.5 0.5
CB A:CYS634 2.6 20.2 0.5
CB A:CYS634 2.9 20.5 0.5
C2 A:EMC801 3.2 28.9 0.3
N A:CYS634 3.3 20.0 1.0
O A:ILE672 3.5 14.1 1.0
CA A:CYS634 3.6 19.9 1.0
SG A:CYS634 3.7 24.4 0.5
CB A:LYS673 3.9 12.7 1.0
C A:PHE633 3.9 19.8 1.0
CA A:LYS673 4.2 12.0 1.0
OD1 A:ASP632 4.3 26.3 0.5
CG A:LYS673 4.3 17.6 1.0
C A:ILE672 4.3 12.9 1.0
CD A:LYS673 4.4 21.7 1.0
C A:CYS634 4.4 18.5 1.0
O A:CYS634 4.4 17.6 1.0
O A:PHE633 4.5 20.4 1.0
O A:ASP632 4.6 17.9 1.0
CA A:PHE633 4.6 18.8 1.0
N A:LYS673 4.6 11.5 1.0
CG A:ASP632 4.8 22.2 0.5
HG A:EMC801 4.8 44.8 0.3
C A:ASP632 4.9 18.9 1.0
N A:PHE633 4.9 18.8 1.0

Mercury binding site 2 out of 7 in 3a0w

Go back to Mercury Binding Sites List in 3a0w
Mercury binding site 2 out of 7 in the Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg801

b:44.8
occ:0.30
HG A:EMC801 0.0 44.8 0.3
C1 A:EMC801 2.4 43.5 0.3
SG A:CYS634 2.4 24.4 0.5
CB A:CYS634 2.8 20.5 0.5
CB A:CYS634 3.0 20.2 0.5
SG A:CYS634 3.2 24.5 0.5
C2 A:EMC801 3.3 43.6 0.3
OE2 A:GLU636 3.6 32.6 1.0
O A:HOH26 4.0 23.6 1.0
CA A:CYS634 4.1 19.9 1.0
CD A:GLU636 4.4 29.2 1.0
CG A:GLU636 4.4 23.0 1.0
N A:PHE635 4.7 17.3 1.0
C A:CYS634 4.7 18.5 1.0
HG A:EMC801 4.8 29.8 0.3
O A:PHE635 5.0 18.6 1.0

Mercury binding site 3 out of 7 in 3a0w

Go back to Mercury Binding Sites List in 3a0w
Mercury binding site 3 out of 7 in the Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg802

b:25.2
occ:0.80
HG A:EMC802 0.0 25.2 0.8
SG A:CYS721 2.3 18.4 1.0
C1 A:EMC802 2.4 25.0 0.8
C2 A:EMC802 3.1 23.3 0.8
O A:GLY717 3.1 20.4 1.0
N A:CYS721 3.2 14.0 1.0
CB A:CYS721 3.4 14.2 1.0
CA A:CYS721 3.4 13.7 1.0
CB A:ASN657 3.5 14.2 1.0
ND2 A:ASN657 3.6 19.6 1.0
CG A:ASN657 3.7 17.4 1.0
C A:ILE720 4.0 14.5 1.0
C A:GLY717 4.1 19.2 1.0
O A:GLN653 4.3 14.8 1.0
CB A:ILE720 4.3 14.6 1.0
CA A:VAL654 4.3 11.3 1.0
CG2 A:ILE720 4.3 14.3 1.0
OD1 A:ASN657 4.5 21.6 1.0
C A:GLN653 4.6 13.2 1.0
CA A:ILE720 4.6 13.8 1.0
O A:ILE720 4.7 14.1 1.0
N A:VAL654 4.7 12.1 1.0
CA A:GLY717 4.7 21.0 1.0
CG2 A:VAL654 4.8 13.4 1.0
CD1 A:ILE724 4.8 13.9 1.0
C A:CYS721 5.0 13.4 1.0

Mercury binding site 4 out of 7 in 3a0w

Go back to Mercury Binding Sites List in 3a0w
Mercury binding site 4 out of 7 in the Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg803

b:99.9
occ:0.40
HG A:EMT803 0.0 99.9 0.4
C1 A:EMT803 2.4 99.3 0.4
SD A:EMT803 2.6 98.8 0.4
OD2 A:EMT803 2.9 98.9 0.4
C2 A:EMT803 3.2 99.4 0.4
OG1 A:THR709 3.6 51.3 1.0
CE1 A:EMT803 3.6 98.7 0.4
CG A:EMT803 3.8 98.8 0.4
CZ A:EMT803 4.1 98.7 0.4
CB A:THR709 4.5 50.2 1.0
CD1 A:EMT803 4.6 98.5 0.4
CD1 A:LEU698 4.6 24.3 1.0
CG2 A:THR709 4.8 50.7 1.0

Mercury binding site 5 out of 7 in 3a0w

Go back to Mercury Binding Sites List in 3a0w
Mercury binding site 5 out of 7 in the Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg801

b:24.5
occ:0.50
HG B:EMC801 0.0 24.5 0.5
C1 B:EMC801 2.3 15.4 0.5
SG B:CYS634 2.4 24.0 0.5
SG B:CYS634 2.8 27.5 0.5
CB B:CYS634 2.8 19.4 0.5
CB B:CYS634 2.9 20.0 0.5
C2 B:EMC801 3.0 20.6 0.5
N B:CYS634 3.2 17.8 1.0
O B:ILE672 3.5 14.5 1.0
CA B:CYS634 3.5 19.4 1.0
HG B:EMC801 3.9 38.7 0.2
C B:PHE633 3.9 17.8 1.0
CB B:LYS673 3.9 12.6 1.0
CA B:LYS673 4.2 11.8 1.0
CG B:LYS673 4.3 14.2 1.0
C B:ILE672 4.3 12.9 1.0
C B:CYS634 4.3 17.4 1.0
O B:CYS634 4.4 15.4 1.0
CD B:LYS673 4.5 18.5 1.0
O B:PHE633 4.5 19.2 1.0
N B:LYS673 4.6 12.1 1.0
CA B:PHE633 4.6 16.9 1.0
O B:ASP632 4.8 15.6 1.0
N B:PHE633 5.0 17.1 1.0

Mercury binding site 6 out of 7 in 3a0w

Go back to Mercury Binding Sites List in 3a0w
Mercury binding site 6 out of 7 in the Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg801

b:38.7
occ:0.20
HG B:EMC801 0.0 38.7 0.2
C1 B:EMC801 2.4 37.9 0.2
SG B:CYS634 2.6 27.5 0.5
SG B:CYS634 2.9 24.0 0.5
C2 B:EMC801 3.2 38.2 0.2
CB B:CYS634 3.4 20.0 0.5
CB B:CYS634 3.4 19.4 0.5
OE2 B:GLU636 3.8 36.1 1.0
HG B:EMC801 3.9 24.5 0.5
NZ B:LYS673 4.8 29.6 1.0
CD B:GLU636 4.8 30.7 1.0
CA B:CYS634 4.9 19.4 1.0
CE B:LYS673 5.0 24.5 1.0

Mercury binding site 7 out of 7 in 3a0w

Go back to Mercury Binding Sites List in 3a0w
Mercury binding site 7 out of 7 in the Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Catalytic Domain of Histidine Kinase Thka (TM1359) For Mad Phasing (Nucleotide Free Form 2, Orthorombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg802

b:29.2
occ:0.80
HG B:EMC802 0.0 29.2 0.8
C1 B:EMC802 2.4 28.9 0.8
SG B:CYS721 2.5 20.1 1.0
O B:GLY717 3.1 29.2 1.0
C2 B:EMC802 3.2 30.6 0.8
N B:CYS721 3.2 19.6 1.0
CA B:CYS721 3.4 18.6 1.0
CB B:CYS721 3.4 18.8 1.0
CB B:ASN657 3.6 15.6 1.0
ND2 B:ASN657 3.6 21.6 1.0
CG B:ASN657 3.7 18.8 1.0
C B:ILE720 4.0 19.5 1.0
C B:GLY717 4.1 29.8 1.0
O B:GLN653 4.2 13.1 1.0
CA B:VAL654 4.2 11.4 1.0
CB B:ILE720 4.4 21.0 1.0
CG2 B:ILE720 4.5 20.5 1.0
C B:GLN653 4.5 12.6 1.0
CG2 B:VAL654 4.5 12.2 1.0
N B:VAL654 4.6 11.4 1.0
OD1 B:ASN657 4.6 25.3 1.0
O B:ILE720 4.7 19.1 1.0
CD1 B:ILE724 4.7 16.3 1.0
CA B:ILE720 4.7 21.0 1.0
CA B:GLY717 4.7 32.5 1.0
CB B:VAL654 4.9 12.3 1.0
O B:HOH38 4.9 25.1 1.0
C B:CYS721 4.9 18.6 1.0
N B:LEU718 5.0 28.1 1.0

Reference:

S.Yamada, H.Sugimoto, M.Kobayashi, A.Ohno, H.Nakamura, Y.Shiro. Structure of Pas-Linked Histidine Kinase and the Response Regulator Complex Structure V. 17 1333 2009.
ISSN: ISSN 0969-2126
PubMed: 19836334
DOI: 10.1016/J.STR.2009.07.016
Page generated: Wed Oct 28 18:42:11 2020

Last articles

Xe in 6AYK
Xe in 6QII
Xe in 6ASM
Xe in 5NSW
Xe in 6FY9
Xe in 5O1K
Xe in 5O27
Xe in 5M69
Xe in 5KPU
Xe in 5I63
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy