Mercury in PDB 7cyk: Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation

Protein crystallography data

The structure of Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation, PDB code: 7cyk was solved by X.Wang, Y.Lyu, Y.Ji, Z.Sun, X.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.26 / 2.79
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 190.421, 46.652, 70.781, 90, 101.01, 90
R / Rfree (%) 22.6 / 26.7

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation (pdb code 7cyk). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 10 binding sites of Mercury where determined in the Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation, PDB code: 7cyk:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Mercury binding site 1 out of 10 in 7cyk

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Mercury binding site 1 out of 10 in the Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation


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 A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg401

b:76.5
occ:0.73
HG A:HG401 0.0 76.5 0.7
O A:HOH516 2.5 31.5 1.0
SG A:CYS196 2.6 51.9 1.0
O A:MET192 2.6 63.3 1.0
HG A:HG401 3.3 82.3 0.3
N A:CYS196 3.3 47.2 1.0
C A:MET192 3.5 54.8 1.0
CB A:CYS196 3.6 48.3 1.0
CA A:CYS196 3.9 42.7 1.0
CA A:MET192 3.9 46.6 1.0
CB A:VAL195 4.0 44.3 1.0
C A:VAL195 4.1 48.5 1.0
CG1 A:VAL195 4.1 42.6 1.0
CB A:MET192 4.2 48.4 1.0
CA A:VAL195 4.5 43.6 1.0
CD1 A:LEU40 4.6 37.8 1.0
N A:SER193 4.7 54.3 1.0
N A:VAL195 4.8 55.4 1.0
O A:VAL195 5.0 54.6 1.0
CG A:MET192 5.0 61.7 1.0

Mercury binding site 2 out of 10 in 7cyk

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Mercury binding site 2 out of 10 in the Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation


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 A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg401

b:82.3
occ:0.27
HG A:HG401 0.0 82.3 0.3
SG A:CYS196 2.8 51.9 1.0
O A:MET192 3.2 63.3 1.0
HG A:HG401 3.3 76.5 0.7
CB A:LEU40 3.4 51.8 1.0
C A:MET192 3.6 54.8 1.0
CB A:CYS196 3.6 48.3 1.0
CD1 A:LEU40 3.8 37.8 1.0
N A:SER193 3.8 54.3 1.0
CA A:SER193 3.9 47.1 1.0
C A:LEU40 4.0 37.6 1.0
CB A:MET192 4.1 48.4 1.0
O A:LEU40 4.1 38.4 1.0
N A:ILE41 4.1 38.3 1.0
CG A:LEU40 4.2 38.6 1.0
CA A:LEU40 4.3 40.5 1.0
CG1 A:ILE41 4.4 39.2 1.0
CA A:MET192 4.4 46.6 1.0
CA A:ILE41 4.5 38.0 1.0
OG A:SER193 4.6 60.5 1.0
C A:SER193 4.9 45.8 1.0
CA A:CYS196 4.9 42.7 1.0
CD2 A:LEU40 4.9 33.2 1.0
CB A:ALA44 4.9 43.5 1.0
N A:CYS196 4.9 47.2 1.0
CB A:SER193 4.9 50.3 1.0
O A:SER193 5.0 44.9 1.0
O A:LEU37 5.0 39.7 1.0

Mercury binding site 3 out of 10 in 7cyk

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Mercury binding site 3 out of 10 in the Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation


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 A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg402

b:83.8
occ:0.38
HG A:HG402 0.0 83.8 0.4
SG A:CYS197 2.9 78.4 1.0
OG A:SER283 3.3 67.4 1.0
O A:CYS197 3.7 41.6 1.0
CG1 A:ILE201 3.9 39.2 1.0
CB A:CYS197 3.9 51.1 1.0
CA A:CYS197 3.9 45.9 1.0
CB A:SER283 4.0 46.1 1.0
HG A:HG402 4.0 178.3 0.6
CA A:GLY261 4.1 35.9 1.0
N A:GLY261 4.2 34.8 1.0
CD1 A:ILE201 4.2 46.7 1.0
C A:CYS197 4.2 47.8 1.0
CG2 A:ILE200 4.3 41.4 1.0
CB A:ILE200 4.3 45.7 1.0
CD1 A:ILE200 4.8 43.2 1.0
N A:ILE201 4.8 38.6 1.0
C A:SER260 5.0 33.7 1.0

Mercury binding site 4 out of 10 in 7cyk

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Mercury binding site 4 out of 10 in the Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation


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 A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg402

b:178.3
occ:0.62
HG A:HG402 0.0 178.3 0.6
SG A:CYS197 3.2 78.4 1.0
CB A:CYS197 3.7 51.1 1.0
HG A:HG402 4.0 83.8 0.4
OG A:SER283 4.4 67.4 1.0
CG2 A:ILE41 4.6 40.9 1.0
CD1 A:ILE41 4.6 39.4 1.0
CB A:ALA107 4.8 98.5 1.0
CA A:CYS197 4.8 45.9 1.0

Mercury binding site 5 out of 10 in 7cyk

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Mercury binding site 5 out of 10 in the Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg403

b:90.8
occ:1.00
O A:HOH515 2.4 34.7 1.0
SG A:CYS248 2.8 40.1 1.0
O A:PHE243 3.0 52.8 1.0
C A:ASP244 3.5 42.0 1.0
N A:GLU245 3.5 47.2 1.0
O A:ASP244 3.5 46.4 1.0
CA A:GLU245 3.6 40.1 1.0
CD A:LYS239 3.7 63.0 1.0
CB A:CYS248 3.8 56.1 1.0
OE1 A:GLU245 3.9 40.2 1.0
C A:PHE243 4.0 49.6 1.0
CA A:ASP244 4.1 41.8 1.0
CB A:GLU245 4.5 41.1 1.0
N A:ASP244 4.5 51.8 1.0
NZ A:LYS239 4.5 61.0 1.0
O A:HOH512 4.6 43.1 1.0
CG A:LYS239 4.6 64.9 1.0
C A:GLU245 4.7 51.6 1.0
CE A:LYS239 4.7 56.1 1.0
CA A:LYS239 4.7 44.6 1.0
CD A:GLU245 4.8 48.1 1.0
OH A:TYR235 4.9 52.9 1.0
N A:LYS239 4.9 43.6 1.0
O A:GLU245 4.9 56.5 1.0

Mercury binding site 6 out of 10 in 7cyk

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Mercury binding site 6 out of 10 in the Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg401

b:87.3
occ:0.81
HG B:HG401 0.0 87.3 0.8
O B:MET192 2.5 65.5 1.0
SG B:CYS196 2.6 47.3 1.0
O B:HOH518 2.7 45.3 1.0
HG B:HG401 3.3 63.3 0.2
N B:CYS196 3.4 55.3 1.0
C B:MET192 3.4 56.5 1.0
CB B:CYS196 3.6 44.3 1.0
CA B:MET192 3.8 52.6 1.0
CB B:VAL195 3.9 44.6 1.0
CA B:CYS196 3.9 45.8 1.0
CB B:MET192 4.1 52.2 1.0
CG1 B:VAL195 4.2 42.8 1.0
C B:VAL195 4.2 50.1 1.0
CA B:VAL195 4.5 44.9 1.0
N B:SER193 4.6 52.0 1.0
O B:HOH515 4.7 44.0 1.0
N B:VAL195 4.8 45.0 1.0
CD1 B:LEU40 4.8 36.3 1.0
CG B:MET192 4.9 64.3 1.0

Mercury binding site 7 out of 10 in 7cyk

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Mercury binding site 7 out of 10 in the Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg401

b:63.3
occ:0.19
HG B:HG401 0.0 63.3 0.2
O B:HOH515 2.3 44.0 1.0
SG B:CYS196 2.7 47.3 1.0
CB B:LEU40 3.0 36.1 1.0
HG B:HG401 3.3 87.3 0.8
CD1 B:LEU40 3.4 36.3 1.0
O B:MET192 3.6 65.5 1.0
CB B:CYS196 3.6 44.3 1.0
C B:LEU40 3.7 46.7 1.0
CG B:LEU40 3.8 36.2 1.0
N B:ILE41 4.0 37.5 1.0
CA B:LEU40 4.0 36.5 1.0
C B:MET192 4.0 56.5 1.0
O B:LEU40 4.0 43.6 1.0
N B:SER193 4.2 52.0 1.0
CA B:SER193 4.3 56.2 1.0
CG1 B:ILE41 4.4 39.4 1.0
CA B:ILE41 4.5 42.9 1.0
CB B:MET192 4.5 52.2 1.0
CD2 B:LEU40 4.5 38.3 1.0
O B:LEU37 4.6 38.8 1.0
CA B:MET192 4.8 52.6 1.0
OG B:SER193 4.9 59.6 1.0
CA B:CYS196 5.0 45.8 1.0

Mercury binding site 8 out of 10 in 7cyk

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Mercury binding site 8 out of 10 in the Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg402

b:90.9
occ:0.37
HG B:HG402 0.0 90.9 0.4
SG B:CYS197 2.8 81.7 1.0
OG B:SER283 3.2 55.7 1.0
O B:CYS197 3.8 42.5 1.0
CB B:CYS197 3.8 50.6 1.0
CG1 B:ILE201 3.9 42.4 1.0
CB B:SER283 3.9 47.3 1.0
CA B:CYS197 4.0 45.9 1.0
CA B:GLY261 4.1 35.0 1.0
HG B:HG402 4.1 170.6 0.6
CG2 B:ILE200 4.2 39.5 1.0
N B:GLY261 4.2 38.5 1.0
C B:CYS197 4.3 49.1 1.0
CD1 B:ILE201 4.3 40.7 1.0
CB B:ILE200 4.3 52.6 1.0
N B:ILE201 4.8 36.5 1.0
CD1 B:ILE200 4.8 42.9 1.0
O B:HOH511 5.0 58.0 1.0
C B:SER260 5.0 39.5 1.0

Mercury binding site 9 out of 10 in 7cyk

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Mercury binding site 9 out of 10 in the Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 9 of Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg402

b:170.6
occ:0.63
HG B:HG402 0.0 170.6 0.6
SG B:CYS197 2.9 81.7 1.0
CB B:CYS197 3.1 50.6 1.0
O B:HOH511 3.7 58.0 1.0
HG B:HG402 4.1 90.9 0.4
CA B:CYS197 4.3 45.9 1.0
CD1 B:ILE41 4.4 39.2 1.0
CG2 B:ILE41 4.5 38.2 1.0
O B:SER193 4.5 47.6 1.0
OG B:SER283 4.8 55.7 1.0
N B:CYS197 5.0 46.9 1.0

Mercury binding site 10 out of 10 in 7cyk

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Mercury binding site 10 out of 10 in the Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 10 of Crystal Structure of A Second Cysteine-Pair Mutant (V110C-I197C) of A Bacterial Bile Acid Transporter Before Disulfide Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg403

b:97.3
occ:1.00
O B:HOH514 2.4 37.7 1.0
SG B:CYS248 2.7 46.6 1.0
O B:PHE243 2.9 64.3 1.0
CD B:LYS239 3.2 63.0 1.0
C B:ASP244 3.4 55.4 1.0
N B:GLU245 3.4 49.6 1.0
O B:ASP244 3.5 49.9 1.0
CA B:GLU245 3.5 45.9 1.0
CB B:CYS248 3.8 50.7 1.0
C B:PHE243 3.9 49.4 1.0
OE1 B:GLU245 3.9 45.5 1.0
CA B:ASP244 4.0 48.4 1.0
CG B:LYS239 4.2 63.5 1.0
NZ B:LYS239 4.3 52.7 1.0
CB B:GLU245 4.3 49.6 1.0
CE B:LYS239 4.4 52.2 1.0
N B:ASP244 4.4 54.8 1.0
C B:GLU245 4.7 48.3 1.0
O B:HOH513 4.7 43.5 1.0
CD B:GLU245 4.8 56.9 1.0
CA B:LYS239 4.8 48.6 1.0
OH B:TYR235 4.9 58.0 1.0
O B:GLU245 5.0 51.3 1.0

Reference:

X.Wang, Y.Lyu, Y.Ji, Z.Sun, X.Zhou. An Engineered Disulfide Bridge Traps and Validates An Outward-Facing Conformation in A Bile Acid Transporter. Acta Crystallogr D Struct V. 77 108 2021BIOL.
ISSN: ISSN 2059-7983
PubMed: 33404530
DOI: 10.1107/S205979832001517X
Page generated: Sun Jan 24 17:21:21 2021

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