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Mercury in PDB 1xpj: Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae

Protein crystallography data

The structure of Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae, PDB code: 1xpj was solved by J.S.Brunzelle, G.Minasov, L.Shuvalova, F.R.Collart, W.F.Anderson, Midwestcenter For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 77.729, 52.888, 72.215, 90.00, 90.20, 90.00
R / Rfree (%) 20.1 / 25.3

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae (pdb code 1xpj). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae, PDB code: 1xpj:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in 1xpj

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Mercury binding site 1 out of 4 in the Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg401

b:64.7
occ:0.40
O A:GLY91 2.3 22.1 1.0
SG A:CYS90 2.3 19.5 0.6
O A:GLY94 3.5 25.5 1.0
C A:GLY91 3.5 21.5 1.0
NE D:ARG100 3.7 26.0 1.0
CZ3 A:TRP89 3.8 22.3 0.5
CB A:CYS90 3.8 19.9 1.0
CH2 A:TRP89 3.8 23.1 0.5
O A:HIS92 3.9 21.8 1.0
C A:GLY94 4.0 25.3 1.0
N A:GLY91 4.0 20.9 1.0
C A:CYS90 4.0 20.6 1.0
N A:GLY94 4.1 24.5 1.0
C A:HIS92 4.2 22.2 1.0
SG A:CYS90 4.2 23.0 0.4
NH2 D:ARG100 4.3 25.2 1.0
CZ D:ARG100 4.3 26.0 1.0
CA A:GLY94 4.3 25.0 1.0
CA A:CYS90 4.3 20.8 1.0
CG D:ARG100 4.4 23.0 1.0
O A:CYS90 4.4 21.1 1.0
CA A:GLY91 4.4 21.1 1.0
CD D:ARG100 4.4 24.9 1.0
N A:HIS92 4.4 21.8 1.0
CA A:HIS92 4.5 22.2 1.0
CE3 A:TRP89 4.5 21.7 0.5
O D:HOH451 4.5 59.3 1.0
CZ2 A:TRP89 4.6 22.7 0.5
N A:CYS90 4.7 20.4 1.0
O A:HOH454 4.7 52.0 1.0
N A:ASP93 4.8 22.4 1.0
N A:PHE95 4.9 25.2 1.0
CB D:ARG100 5.0 22.1 1.0

Mercury binding site 2 out of 4 in 1xpj

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Mercury binding site 2 out of 4 in the Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg402

b:66.9
occ:0.30
SG B:CYS90 2.2 23.3 0.6
O B:GLY91 2.4 23.8 1.0
O B:GLY94 3.4 23.9 1.0
C B:GLY91 3.6 23.6 1.0
O B:HIS92 3.8 24.3 1.0
CB B:CYS90 3.9 22.6 1.0
CZ3 B:TRP89 4.0 22.8 0.5
NE C:ARG100 4.0 24.8 1.0
N B:GLY91 4.1 23.1 1.0
CH2 B:TRP89 4.1 23.2 0.5
C B:GLY94 4.2 23.8 1.0
C B:CYS90 4.2 22.9 1.0
C B:HIS92 4.3 24.2 1.0
CZ C:ARG100 4.3 25.2 1.0
NH2 C:ARG100 4.4 25.3 1.0
CG C:ARG100 4.4 21.5 1.0
N B:GLY94 4.4 23.5 1.0
CA B:CYS90 4.5 22.9 1.0
CA B:GLY91 4.5 23.4 1.0
SG B:CYS90 4.5 22.3 0.4
N B:HIS92 4.6 23.9 1.0
CA B:HIS92 4.6 24.3 1.0
CD C:ARG100 4.6 23.4 1.0
CE3 B:TRP89 4.6 22.3 0.5
CA B:GLY94 4.7 23.5 1.0
N B:CYS90 4.8 23.0 1.0
O B:CYS90 4.8 22.8 1.0
CZ2 B:TRP89 4.8 22.9 0.5
CB C:ARG100 5.0 20.3 1.0

Mercury binding site 3 out of 4 in 1xpj

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Mercury binding site 3 out of 4 in the Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg403

b:66.5
occ:0.30
O C:GLY91 2.1 24.1 1.0
SG C:CYS90 2.2 23.9 0.6
O C:GLY94 3.3 24.1 1.0
C C:GLY91 3.4 24.1 1.0
O C:HIS92 3.7 25.2 1.0
CB C:CYS90 3.7 22.9 1.0
CH2 C:TRP89 3.8 24.4 0.5
CZ3 C:TRP89 3.8 23.6 0.5
N C:GLY91 3.9 23.8 1.0
NE B:ARG100 3.9 25.0 1.0
C C:CYS90 4.0 23.3 1.0
C C:GLY94 4.0 24.1 1.0
C C:HIS92 4.1 24.9 1.0
N C:GLY94 4.2 23.9 1.0
NH2 B:ARG100 4.2 24.5 1.0
CA C:GLY91 4.2 23.8 1.0
CA C:CYS90 4.3 23.2 1.0
N C:HIS92 4.3 24.5 1.0
CZ B:ARG100 4.3 24.6 1.0
SG C:CYS90 4.3 22.0 0.4
CA C:HIS92 4.4 24.9 1.0
CA C:GLY94 4.4 23.9 1.0
CZ2 C:TRP89 4.5 24.0 0.5
O C:CYS90 4.5 23.6 1.0
CE3 C:TRP89 4.5 23.0 0.5
CG B:ARG100 4.6 21.8 1.0
N C:CYS90 4.6 23.0 1.0
CD B:ARG100 4.6 23.5 1.0
N C:ASP93 4.9 24.5 1.0

Mercury binding site 4 out of 4 in 1xpj

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Mercury binding site 4 out of 4 in the Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg404

b:65.5
occ:0.40
SG D:CYS90 2.3 22.5 0.6
O D:GLY91 2.7 24.9 1.0
O D:GLY94 3.4 24.8 1.0
NH1 A:ARG100 3.5 26.6 0.5
NE A:ARG100 3.6 21.7 0.5
C D:GLY91 3.8 24.0 1.0
CB D:CYS90 3.8 21.9 1.0
CZ3 D:TRP89 3.9 23.0 0.5
CG A:ARG100 4.0 22.7 0.5
C D:GLY94 4.0 24.5 1.0
CZ A:ARG100 4.0 25.6 0.5
CG A:ARG100 4.1 22.1 0.5
O D:HIS92 4.1 24.7 1.0
N D:GLY91 4.2 23.2 1.0
CD A:ARG100 4.2 21.9 0.5
CH2 D:TRP89 4.2 23.4 0.5
CZ A:ARG100 4.3 21.8 0.5
N D:GLY94 4.3 24.7 1.0
C D:CYS90 4.3 22.9 1.0
SG D:CYS90 4.4 26.2 0.4
NH2 A:ARG100 4.4 21.4 0.5
O D:HOH457 4.4 49.7 1.0
C D:HIS92 4.5 24.8 1.0
NE A:ARG100 4.5 25.2 0.5
CA D:GLY94 4.5 24.4 1.0
CA D:CYS90 4.5 22.9 1.0
CD A:ARG100 4.5 23.8 0.5
CE3 D:TRP89 4.6 22.6 0.5
CA D:GLY91 4.7 23.7 1.0
NH2 A:ARG100 4.7 25.5 0.5
CB A:ARG100 4.7 21.8 1.0
N D:HIS92 4.8 24.5 1.0
CA D:HIS92 4.8 24.9 1.0
N D:CYS90 4.8 22.5 1.0
N D:PHE95 4.9 24.0 1.0
O D:CYS90 4.9 22.9 1.0

Reference:

J.S.Brunzelle, G.Minasov, L.Shuvalova, F.R.Collart, W.F.Anderson, Midwest Center For Structural Genomics (Mcsg). Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae To Be Published.
Page generated: Wed Oct 28 18:40:55 2020

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