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Chlorine in PDB 2wtp: Crystal Structure of Cu-Form Czce From C. Metallidurans CH34

Protein crystallography data

The structure of Crystal Structure of Cu-Form Czce From C. Metallidurans CH34, PDB code: 2wtp was solved by I.Haertlein, E.Girard, G.Sarret, J.Hazemann, P.Gourhant, R.Kahn, J.Coves, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.141 / 1.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 105.000, 29.530, 71.170, 90.00, 113.41, 90.00
R / Rfree (%) 15.99 / 18.85

Other elements in 2wtp:

The structure of Crystal Structure of Cu-Form Czce From C. Metallidurans CH34 also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Copper (Cu) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Cu-Form Czce From C. Metallidurans CH34 (pdb code 2wtp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of Cu-Form Czce From C. Metallidurans CH34, PDB code: 2wtp:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 2wtp

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Chlorine binding site 1 out of 10 in the Crystal Structure of Cu-Form Czce From C. Metallidurans CH34


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Cu-Form Czce From C. Metallidurans CH34 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1111

b:9.7
occ:1.00
 O B:HOH2015 3.2 24.2 1.0
NH1 B:ARG39 3.2 12.3 1.0
CG2 A:VAL50 3.3 15.9 0.5
NH1 A:ARG39 3.3 9.7 1.0
N B:ASN51 3.5 7.5 1.0
O B:ASN51 3.5 8.4 1.0
O A:ASN51 3.5 8.3 1.0
N A:ASN51 3.5 8.4 1.0
NH2 B:ARG39 4.0 10.4 1.0
CZ B:ARG39 4.0 9.8 1.0
CZ A:ARG39 4.2 10.2 1.0
NH2 A:ARG39 4.2 10.8 1.0
CA B:ASN51 4.2 7.3 1.0
CB B:VAL50 4.2 11.4 1.0
CA B:VAL50 4.2 11.1 1.0
CB B:ASN51 4.3 7.4 1.0
CA A:ASN51 4.3 8.2 1.0
CB A:ASN51 4.3 8.4 1.0
C B:ASN51 4.3 7.9 1.0
CB A:VAL50 4.3 10.9 0.5
C A:ASN51 4.3 8.3 1.0
C B:VAL50 4.3 8.8 1.0
CA A:VAL50 4.4 9.1 0.5
CB A:VAL50 4.4 10.9 0.5
CA A:VAL50 4.4 9.1 0.5
C A:VAL50 4.5 8.4 1.0
O B:HOH2049 4.8 12.1 1.0
CG1 B:VAL50 4.8 12.7 1.0
CG1 A:VAL50 4.8 20.9 0.5
O A:HOH2053 5.0 12.8 1.0
CD1 B:ILE41 5.0 11.4 1.0

Chlorine binding site 2 out of 10 in 2wtp

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Chlorine binding site 2 out of 10 in the Crystal Structure of Cu-Form Czce From C. Metallidurans CH34


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Cu-Form Czce From C. Metallidurans CH34 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1112

b:22.4
occ:0.70
 NH1 A:ARG101 3.1 44.4 0.5
N A:ASP77 3.1 9.3 1.0
CB A:ARG76 3.6 14.4 1.0
OD1 A:ASP77 3.7 11.3 1.0
O A:HOH2077 3.7 39.7 1.0
CA A:ARG76 3.7 10.7 1.0
CG A:ASP77 3.7 13.4 1.0
CD A:ARG101 3.8 26.2 0.5
C A:ARG76 3.9 9.8 1.0
CB A:ASP77 4.0 12.5 1.0
CD A:ARG101 4.1 25.6 0.5
CA A:ASP77 4.2 8.5 1.0
CZ A:ARG101 4.2 51.2 0.5
O A:HOH2071 4.3 42.4 1.0
OD2 A:ASP77 4.3 16.5 1.0
O A:HOH2096 4.4 18.9 0.8
NE A:ARG101 4.4 50.8 0.5
CB A:ARG101 4.5 12.9 0.5
CB A:ARG101 4.6 12.5 0.5
CG A:ARG101 4.6 29.3 0.5
CG A:ARG76 4.8 17.1 1.0
O A:HOH2075 4.9 22.4 0.8
CG A:ARG101 5.0 28.4 0.5

Chlorine binding site 3 out of 10 in 2wtp

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Chlorine binding site 3 out of 10 in the Crystal Structure of Cu-Form Czce From C. Metallidurans CH34


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Cu-Form Czce From C. Metallidurans CH34 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1113

b:12.0
occ:1.00
 NH2 A:ARG96 3.3 12.2 1.0
NE2 A:HIS24 3.4 15.5 1.0
NH1 A:ARG96 3.5 12.8 1.0
N A:ASP81 3.6 8.3 1.0
CA A:VAL80 3.7 8.0 1.0
CZ A:ARG96 3.9 10.9 1.0
CG2 A:VAL80 4.0 10.1 1.0
C A:VAL80 4.1 8.4 1.0
O A:SER79 4.1 8.2 1.0
CE1 A:HIS24 4.2 14.1 1.0
CB A:VAL80 4.4 9.2 1.0
CD2 A:HIS24 4.4 15.8 1.0
CD1 A:LEU84 4.5 19.6 1.0
CB A:ASP81 4.6 10.9 1.0
N A:VAL80 4.7 8.2 1.0
CA A:ASP81 4.7 8.4 1.0
C A:SER79 4.8 8.3 1.0
O A:HOH2078 4.9 8.2 1.0

Chlorine binding site 4 out of 10 in 2wtp

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Chlorine binding site 4 out of 10 in the Crystal Structure of Cu-Form Czce From C. Metallidurans CH34


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Cu-Form Czce From C. Metallidurans CH34 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1114

b:23.8
occ:0.50
 N A:ILE40 3.0 9.0 1.0
O B:GLY46 3.1 23.0 1.0
O B:HOH2046 3.1 30.4 1.0
O B:MET47 3.1 18.4 1.0
C B:MET47 3.5 17.2 1.0
CA A:ARG39 3.5 8.6 1.0
CB A:ARG39 3.7 8.6 1.0
C A:ARG39 3.7 8.7 1.0
CA B:MET47 3.8 19.8 1.0
O A:ILE40 3.8 11.8 1.0
O A:HOH2036 3.9 16.4 1.0
CG B:ARG48 3.9 17.2 1.0
CA A:ILE40 4.1 9.3 1.0
CD B:ARG48 4.1 20.2 1.0
CB A:ILE40 4.1 9.7 1.0
C B:GLY46 4.2 26.3 1.0
CB B:ARG48 4.3 12.3 1.0
N B:ARG48 4.3 14.6 1.0
C A:ILE40 4.3 10.9 1.0
O B:HOH2044 4.4 34.5 1.0
NE B:ARG48 4.4 27.3 1.0
CG1 A:ILE40 4.5 12.8 1.0
N B:MET47 4.5 23.7 1.0
O A:HOH2031 4.6 38.2 1.0
N A:ARG39 4.9 8.2 1.0
CA B:ARG48 4.9 11.7 1.0
CB B:MET47 4.9 25.5 1.0
O A:ARG39 5.0 8.5 1.0
O A:SER38 5.0 8.6 1.0

Chlorine binding site 5 out of 10 in 2wtp

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Chlorine binding site 5 out of 10 in the Crystal Structure of Cu-Form Czce From C. Metallidurans CH34


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Cu-Form Czce From C. Metallidurans CH34 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1115

b:24.4
occ:0.60
 O A:HOH2065 2.9 41.2 1.0
O A:HOH2086 3.1 44.4 1.0
N A:ASP88 3.2 15.4 1.0
CA A:MET86 3.3 10.5 1.0
C A:MET86 3.4 12.2 1.0
CB A:ASP88 3.4 26.0 1.0
CB A:MET86 3.5 15.6 1.0
O A:HOH2082 3.6 23.9 1.0
N A:PRO87 3.7 14.7 1.0
CA A:ASP88 3.7 20.9 1.0
O A:HOH2030 3.8 40.9 1.0
CD A:PRO87 4.0 14.0 1.0
O A:MET86 4.0 13.3 1.0
N A:LEU89 4.1 14.2 1.0
CG A:ASP88 4.2 43.4 1.0
C A:ASP88 4.2 22.3 1.0
OD2 A:ASP88 4.3 58.2 1.0
CG1 A:VAL67 4.3 12.6 1.0
C A:PRO87 4.3 18.0 1.0
CG2 A:VAL67 4.4 17.4 1.0
CA A:PRO87 4.6 15.0 1.0
CG A:PRO87 4.7 19.9 1.0
N A:MET86 4.7 10.7 1.0
O A:LEU85 4.7 13.2 1.0
CG A:MET86 4.9 16.4 1.0
CB A:VAL67 4.9 13.2 1.0

Chlorine binding site 6 out of 10 in 2wtp

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Chlorine binding site 6 out of 10 in the Crystal Structure of Cu-Form Czce From C. Metallidurans CH34


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Cu-Form Czce From C. Metallidurans CH34 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1110

b:23.3
occ:0.60
 N B:ASP77 3.2 15.8 1.0
O1 B:TRS1105 3.3 24.9 0.2
CG B:ASP77 3.8 19.7 1.0
CA B:ARG76 3.8 20.3 1.0
CB B:ARG76 3.8 24.1 1.0
CB B:ASP77 3.9 16.5 1.0
NE B:ARG101 3.9 33.5 1.0
OD1 B:ASP77 3.9 19.1 1.0
C B:ARG76 4.0 17.6 1.0
CD B:ARG101 4.0 31.7 1.0
OD2 B:ASP77 4.1 21.7 1.0
CA B:ASP77 4.2 13.8 1.0
CB B:ARG101 4.4 20.5 1.0
C1 B:TRS1105 4.4 19.8 0.2
C1 B:TRS1105 4.5 19.8 0.5
CZ B:ARG101 4.7 43.0 1.0
CG B:ARG101 4.8 30.3 1.0
O1 B:TRS1105 4.9 24.9 0.5
CG B:ARG76 5.0 38.9 1.0
O B:ASP77 5.0 18.4 1.0

Chlorine binding site 7 out of 10 in 2wtp

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Chlorine binding site 7 out of 10 in the Crystal Structure of Cu-Form Czce From C. Metallidurans CH34


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Cu-Form Czce From C. Metallidurans CH34 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1111

b:23.5
occ:0.40
 N B:ILE66 3.3 17.9 1.0
O B:GLU64 3.6 49.4 1.0
O B:ILE66 3.6 17.9 1.0
CA B:LYS65 3.9 22.2 1.0
C B:LYS65 4.1 18.1 1.0
CA B:ILE66 4.2 16.4 1.0
C B:ILE66 4.4 19.6 1.0
CB B:ILE66 4.4 18.9 1.0
CG B:LYS65 4.5 26.4 1.0
C B:GLU64 4.5 32.9 1.0
N B:LYS65 4.7 28.7 1.0
CB B:LYS65 4.8 24.1 1.0
CG1 B:ILE66 4.8 25.4 1.0

Chlorine binding site 8 out of 10 in 2wtp

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Chlorine binding site 8 out of 10 in the Crystal Structure of Cu-Form Czce From C. Metallidurans CH34


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Cu-Form Czce From C. Metallidurans CH34 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1112

b:32.4
occ:0.60
 O B:HOH2063 3.0 40.5 1.0
N B:ASP88 3.1 24.4 1.0
CA B:MET86 3.4 19.2 1.0
CB B:ASP88 3.4 30.0 1.0
C B:MET86 3.4 21.3 1.0
CB B:MET86 3.5 21.9 1.0
N B:PRO87 3.6 17.4 1.0
CA B:ASP88 3.7 26.7 1.0
O B:HOH2076 3.8 28.7 1.0
CD B:PRO87 3.8 21.3 1.0
CG B:ASP88 3.9 54.6 1.0
OD2 B:ASP88 4.0 54.9 1.0
O B:MET86 4.0 22.5 1.0
N B:LEU89 4.0 21.3 1.0
C B:ASP88 4.1 28.9 1.0
C B:PRO87 4.2 24.6 1.0
CG2 B:VAL67 4.4 18.3 1.0
CG B:PRO87 4.5 24.5 1.0
CA B:PRO87 4.5 22.1 1.0
CG1 B:VAL67 4.5 21.8 1.0
O B:LEU85 4.7 21.2 1.0
N B:MET86 4.7 14.7 1.0
OD1 B:ASP88 4.8 54.9 1.0
CG B:MET86 4.8 20.2 1.0
CE B:LYS65 4.9 37.5 1.0
O B:ASP88 5.0 31.1 1.0

Chlorine binding site 9 out of 10 in 2wtp

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Chlorine binding site 9 out of 10 in the Crystal Structure of Cu-Form Czce From C. Metallidurans CH34


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Cu-Form Czce From C. Metallidurans CH34 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1113

b:28.6
occ:0.60
 O B:HOH2072 3.1 32.6 1.0
O1 B:PEG1106 3.1 33.8 1.0
N B:VAL75 3.2 19.8 1.0
C2 B:PEG1106 3.4 33.8 1.0
CA B:MET74 3.6 18.3 1.0
CG1 B:VAL75 3.7 34.1 1.0
C1 B:PEG1106 3.8 33.8 1.0
CG2 B:VAL75 3.9 35.9 1.0
C B:MET74 3.9 18.3 1.0
SD B:MET74 4.1 41.4 1.0
O B:GLN73 4.1 26.1 1.0
CB B:VAL75 4.2 31.2 1.0
CA B:VAL75 4.3 22.9 1.0
CB B:MET74 4.3 14.9 1.0
CE B:MET74 4.3 8.3 1.0
N B:MET74 4.7 15.6 1.0
O2 B:PEG1106 4.7 33.8 1.0
C B:GLN73 4.8 22.7 1.0
CG B:MET74 4.9 18.0 1.0
N B:ARG76 5.0 19.6 1.0

Chlorine binding site 10 out of 10 in 2wtp

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Chlorine binding site 10 out of 10 in the Crystal Structure of Cu-Form Czce From C. Metallidurans CH34


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Cu-Form Czce From C. Metallidurans CH34 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1114

b:26.2
occ:0.30
 O B:HOH2045 2.4 45.8 1.0
N B:ARG48 2.9 14.6 1.0
N B:MET47 3.2 23.7 1.0
C B:GLY46 3.3 26.3 1.0
CA B:GLY46 3.4 23.0 1.0
CA B:ARG48 3.4 11.7 1.0
N B:GLY46 3.7 22.8 1.0
C B:MET47 4.0 17.2 1.0
CA B:MET47 4.1 19.8 1.0
O B:GLY46 4.1 23.0 1.0
C B:ARG48 4.4 10.2 1.0
O B:GLY94 4.4 23.6 1.0
CG B:MET47 4.4 17.5 1.0
CG2 B:VAL95 4.4 18.6 1.0
CG B:ARG48 4.5 17.2 1.0
CB B:ARG48 4.6 12.3 1.0
O B:ARG48 4.6 11.2 1.0
C B:PRO45 4.8 17.3 1.0
O B:HOH2079 4.8 31.6 1.0
O B:HOH2047 4.8 25.8 1.0
O B:HOH2014 4.8 54.3 1.0
CB B:MET47 4.9 25.5 1.0
CA B:VAL95 4.9 17.0 1.0
O B:LYS44 4.9 17.8 1.0
C B:GLY94 4.9 22.7 1.0

Reference:

I.Petit-Haertlein, E.Girard, G.Sarret, J.Hazemann, P.Gourhant, R.Kahn, J.Coves. Evidence For Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce. Biochemistry V. 49 1913 2010.
ISSN: ISSN 0006-2960
PubMed: 20112954
DOI: 10.1021/BI100001Z
Page generated: Sat Dec 12 09:24:20 2020

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