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Chlorine in PDB 3teo: Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form)

Protein crystallography data

The structure of Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form), PDB code: 3teo was solved by M.J.Smeulders, T.R.M.B.Barends, A.Pol, A.Scherer, M.H.Zandvoort, A.Udvarhelyi, A.Khadem, A.Menzel, J.Hermans, R.L.Shoeman, H.J.C.T.Wessels, L.P.Van Den Heuvel, L.Russ, I.Schlichting, M.S.M.Jetten, H.J.M.Op Den Camp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 227.180, 165.510, 115.940, 90.00, 91.17, 90.00
R / Rfree (%) 22.4 / 27.1

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Chlorine atom in the Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form) (pdb code 3teo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 22 binding sites of Chlorine where determined in the Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form), PDB code: 3teo:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 22 in 3teo

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Chlorine binding site 1 out of 22 in the Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:43.5
occ:1.00
 N A:GLY60 3.1 29.3 1.0
N A:ASP37 3.4 31.5 1.0
CB A:CYS35 3.4 32.6 1.0
N A:MSE36 3.5 32.5 1.0
O A:ASN58 3.6 27.9 1.0
CE1 A:HIS88 3.6 29.9 1.0
CG A:MSE36 3.7 34.5 1.0
CA A:ALA59 3.8 28.7 1.0
CB A:ASP37 3.9 30.9 1.0
CA A:GLY60 3.9 29.6 1.0
C A:ALA59 3.9 29.0 1.0
CA A:CYS35 4.0 32.5 1.0
C A:CYS35 4.1 32.5 1.0
CA A:ASP37 4.1 31.1 1.0
C A:MSE36 4.2 32.0 1.0
CA A:MSE36 4.2 32.6 1.0
NE2 A:HIS88 4.3 29.7 1.0
SG A:CYS35 4.3 34.5 1.0
CB A:MSE36 4.5 33.0 1.0
C A:ASN58 4.5 27.8 1.0
ND1 A:HIS88 4.5 29.7 1.0
N A:ALA59 4.6 28.3 1.0
C A:GLY60 4.7 29.8 1.0
SG A:CYS91 4.7 33.9 1.0
CB A:ALA59 4.8 28.8 1.0
N A:GLY61 4.8 30.0 1.0
CE A:MSE36 4.8 37.0 1.0
OD1 A:ASP37 4.9 31.0 1.0
CG A:ASP37 4.9 31.0 1.0

Chlorine binding site 2 out of 22 in 3teo

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Chlorine binding site 2 out of 22 in the Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl205

b:52.5
occ:1.00
 O B:HOH899 2.6 38.8 1.0
O B:HOH449 3.2 24.9 1.0
N B:ASP37 3.3 29.3 1.0
N B:GLY60 3.3 26.9 1.0
CB B:CYS35 3.4 29.6 1.0
CE1 B:HIS88 3.6 27.1 1.0
N B:MSE36 3.6 29.9 1.0
CB B:ASP37 3.7 29.1 1.0
CG B:MSE36 3.8 32.3 1.0
CA B:ASP37 3.9 29.1 1.0
O B:ASN58 3.9 25.8 1.0
CA B:ALA59 4.0 26.4 1.0
C B:ALA59 4.1 26.7 1.0
NE2 B:HIS88 4.2 27.0 1.0
CA B:CYS35 4.2 29.4 1.0
CA B:GLY60 4.2 27.1 1.0
C B:MSE36 4.2 29.7 1.0
C B:CYS35 4.2 29.5 1.0
CA B:MSE36 4.3 30.2 1.0
SG B:CYS35 4.5 32.2 1.0
OD1 B:ASP37 4.5 30.0 1.0
ND1 B:HIS88 4.5 26.8 1.0
CB B:MSE36 4.6 30.6 1.0
CG B:ASP37 4.7 29.2 1.0
C B:ASN58 4.8 25.9 1.0
CE B:MSE36 4.8 34.5 1.0
SG B:CYS91 4.8 31.9 1.0
N B:ALA59 4.9 26.1 1.0
CB B:ALA59 4.9 26.4 1.0
C B:GLY60 5.0 27.3 1.0

Chlorine binding site 3 out of 22 in 3teo

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Chlorine binding site 3 out of 22 in the Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl205

b:44.2
occ:1.00
 N C:GLY60 3.0 25.5 1.0
CB C:CYS35 3.4 31.1 1.0
CE1 C:HIS88 3.4 27.8 1.0
N C:ASP37 3.6 30.9 1.0
O C:ASN58 3.7 24.9 1.0
N C:MSE36 3.7 31.4 1.0
CA C:GLY60 3.8 25.7 1.0
CA C:ALA59 3.8 25.1 1.0
CG C:MSE36 3.8 33.6 1.0
C C:ALA59 3.8 25.3 1.0
CB C:ASP37 4.0 30.6 1.0
NE2 C:HIS88 4.1 28.1 1.0
CA C:CYS35 4.1 31.0 1.0
CA C:ASP37 4.3 30.7 1.0
C C:CYS35 4.3 31.1 1.0
ND1 C:HIS88 4.4 28.1 1.0
SG C:CYS35 4.4 32.7 1.0
C C:MSE36 4.5 31.3 1.0
CA C:MSE36 4.5 31.7 1.0
C C:ASN58 4.6 25.0 1.0
SG C:CYS91 4.6 30.2 1.0
C C:GLY60 4.6 25.9 1.0
N C:ALA59 4.7 25.1 1.0
CB C:MSE36 4.7 32.1 1.0
CE C:MSE36 4.7 36.9 1.0
CB C:ALA59 4.8 25.1 1.0
N C:GLY61 4.9 26.3 1.0
OD1 C:ASP37 4.9 30.2 1.0
O C:ALA59 5.0 25.3 1.0

Chlorine binding site 4 out of 22 in 3teo

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Chlorine binding site 4 out of 22 in the Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl206

b:47.2
occ:1.00
 N C:GLU129 3.7 39.6 1.0
CB C:GLU129 4.1 39.2 1.0
CA C:SER128 4.5 40.8 1.0
CA C:GLU129 4.6 39.1 1.0
C C:SER128 4.6 40.3 1.0
CG2 C:THR113 4.9 47.0 1.0

Chlorine binding site 5 out of 22 in 3teo

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Chlorine binding site 5 out of 22 in the Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl207

b:50.2
occ:1.00
 N C:LYS111 3.3 46.8 1.0
CA C:ILE110 4.0 46.6 1.0
O C:LYS111 4.0 47.1 1.0
CG2 C:ILE110 4.1 46.5 1.0
CB C:LYS111 4.1 47.0 1.0
CB C:VAL115 4.1 44.7 1.0
C C:ILE110 4.1 46.6 1.0
CA C:LYS111 4.1 47.0 1.0
CG D:PRO162 4.3 37.0 1.0
CD1 C:ILE110 4.3 46.7 1.0
CA C:VAL115 4.3 44.7 1.0
CG2 C:VAL115 4.4 44.6 1.0
C C:LYS111 4.5 47.0 1.0
CG C:LYS111 4.5 47.3 1.0
O C:GLY109 4.5 46.3 1.0
N C:VAL115 4.5 45.2 1.0
CB C:ILE110 4.6 46.6 1.0
CB D:PRO162 4.7 37.0 1.0
C C:GLU114 4.8 45.8 1.0
O C:GLU114 4.8 45.9 1.0
CG C:GLU114 4.9 47.1 1.0

Chlorine binding site 6 out of 22 in 3teo

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Chlorine binding site 6 out of 22 in the Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl205

b:40.4
occ:1.00
 N D:GLY60 3.2 28.4 1.0
CB D:CYS35 3.4 31.9 1.0
O D:HOH655 3.4 29.5 1.0
N D:ASP37 3.5 31.3 1.0
CE1 D:HIS88 3.5 30.2 1.0
O D:ASN58 3.6 28.1 1.0
N D:MSE36 3.6 32.0 1.0
CG D:MSE36 3.8 34.7 1.0
CA D:ALA59 3.8 28.3 1.0
CB D:ASP37 3.9 30.9 1.0
C D:ALA59 4.0 28.3 1.0
CA D:GLY60 4.1 28.4 1.0
CA D:CYS35 4.1 31.8 1.0
NE2 D:HIS88 4.1 30.2 1.0
CA D:ASP37 4.1 31.0 1.0
C D:CYS35 4.2 31.8 1.0
C D:MSE36 4.3 31.7 1.0
CA D:MSE36 4.4 32.3 1.0
SG D:CYS35 4.4 34.8 1.0
ND1 D:HIS88 4.5 30.2 1.0
C D:ASN58 4.5 28.2 1.0
SG D:CYS91 4.6 32.4 1.0
CB D:MSE36 4.6 32.8 1.0
N D:ALA59 4.6 28.2 1.0
C D:GLY60 4.7 28.6 1.0
OD1 D:ASP37 4.8 31.1 1.0
CE D:MSE36 4.8 38.5 1.0
CB D:ALA59 4.8 28.1 1.0
CG D:ASP37 4.9 30.6 1.0
N D:GLY61 5.0 28.7 1.0

Chlorine binding site 7 out of 22 in 3teo

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Chlorine binding site 7 out of 22 in the Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl205

b:45.2
occ:1.00
 O E:HOH316 3.0 29.9 1.0
N E:GLY60 3.1 27.3 1.0
CE1 E:HIS88 3.6 29.2 1.0
CB E:CYS35 3.7 30.1 1.0
N E:ASP37 3.7 29.4 1.0
O E:ASN58 3.8 25.5 1.0
CA E:GLY60 3.8 27.6 1.0
CA E:ALA59 3.8 26.6 1.0
N E:MSE36 3.8 30.3 1.0
CG E:MSE36 3.9 33.0 1.0
C E:ALA59 3.9 27.0 1.0
CB E:ASP37 4.0 28.8 1.0
NE2 E:HIS88 4.2 29.1 1.0
CA E:ASP37 4.3 28.9 1.0
SG E:CYS91 4.3 34.6 1.0
CA E:CYS35 4.4 30.0 1.0
C E:CYS35 4.5 30.0 1.0
C E:MSE36 4.5 30.1 1.0
CA E:MSE36 4.6 30.6 1.0
ND1 E:HIS88 4.6 29.1 1.0
CE E:MSE93 4.6 41.1 1.0
C E:ASN58 4.7 25.7 1.0
CB E:MSE36 4.7 31.1 1.0
OD1 E:ASP37 4.7 28.6 1.0
SG E:CYS35 4.7 32.5 1.0
N E:ALA59 4.7 26.2 1.0
CE E:MSE36 4.7 36.8 1.0
CB E:ALA59 4.8 26.6 1.0
C E:GLY60 4.8 27.9 1.0
CG E:ASP37 4.9 28.9 1.0

Chlorine binding site 8 out of 22 in 3teo

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Chlorine binding site 8 out of 22 in the Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl206

b:58.3
occ:1.00
 O E:ILE24 2.9 28.1 1.0
O A:HOH699 2.9 39.9 1.0
CG2 A:VAL202 3.2 43.5 1.0
NH1 E:ARG20 3.3 33.8 1.0
CD E:ARG20 3.4 33.5 1.0
C E:ILE24 3.5 28.2 1.0
O E:ARG19 3.6 31.9 1.0
CD1 E:PHE78 3.6 30.1 1.0
N E:ILE24 3.7 28.8 1.0
CB E:PHE78 3.7 29.4 1.0
CA E:PHE78 3.8 29.4 1.0
CG E:PHE78 4.0 29.5 1.0
C E:GLY23 4.1 29.4 1.0
N E:PRO25 4.1 28.0 1.0
CA E:ARG20 4.1 32.0 1.0
CZ E:ARG20 4.2 34.2 1.0
CA E:GLY23 4.2 29.9 1.0
NE E:ARG20 4.2 34.5 1.0
CA E:PRO25 4.2 27.8 1.0
C E:ARG19 4.3 31.9 1.0
O E:PHE78 4.3 29.2 1.0
CA E:ILE24 4.3 28.4 1.0
CG E:ARG20 4.4 33.0 1.0
C E:PHE78 4.4 29.3 1.0
N E:ARG20 4.5 31.9 1.0
O E:PHE77 4.5 29.6 1.0
CE1 E:PHE78 4.6 30.1 1.0
CB A:VAL202 4.7 43.5 1.0
N E:GLY23 4.8 30.3 1.0
CB E:ARG20 4.9 32.1 1.0
N E:PHE78 4.9 29.4 1.0
O E:GLY23 4.9 29.6 1.0
C E:ARG20 5.0 31.8 1.0

Chlorine binding site 9 out of 22 in 3teo

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Chlorine binding site 9 out of 22 in the Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl205

b:49.0
occ:1.00
 N F:GLY60 3.0 26.8 1.0
O F:HOH673 3.3 31.4 1.0
CB F:CYS35 3.4 29.2 1.0
CE1 F:HIS88 3.6 29.1 1.0
N F:ASP37 3.6 28.5 1.0
O F:ASN58 3.6 26.1 1.0
N F:MSE36 3.7 29.2 1.0
CA F:GLY60 3.8 27.1 1.0
CG F:MSE36 3.8 31.3 1.0
CA F:ALA59 3.8 26.5 1.0
C F:ALA59 3.9 26.6 1.0
CB F:ASP37 4.0 28.3 1.0
CA F:CYS35 4.1 29.3 1.0
C F:CYS35 4.2 29.2 1.0
NE2 F:HIS88 4.3 29.2 1.0
CA F:ASP37 4.3 28.2 1.0
CA F:MSE36 4.4 29.4 1.0
C F:MSE36 4.5 28.9 1.0
ND1 F:HIS88 4.5 29.0 1.0
SG F:CYS91 4.5 32.4 1.0
SG F:CYS35 4.5 31.6 1.0
C F:ASN58 4.6 26.1 1.0
CB F:MSE36 4.6 29.8 1.0
C F:GLY60 4.7 27.4 1.0
N F:ALA59 4.7 26.3 1.0
CE F:MSE36 4.8 33.6 1.0
CB F:ALA59 4.8 26.6 1.0
OD2 F:ASP37 4.9 28.0 1.0
N F:GLY61 4.9 27.7 1.0

Chlorine binding site 10 out of 22 in 3teo

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Chlorine binding site 10 out of 22 in the Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Apo Form of Carbon Disulfide Hydrolase (Selenomethionine Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl205

b:43.4
occ:1.00
 NH2 G:ARG159 3.7 43.5 1.0
N G:ILE170 3.9 38.0 1.0
NE G:ARG169 4.0 42.1 1.0
O G:ILE170 4.1 37.6 1.0
CZ G:ARG159 4.2 43.3 1.0
NE G:ARG159 4.2 43.0 1.0
CA G:ARG169 4.3 39.0 1.0
C G:ARG169 4.7 38.5 1.0
CD G:ARG169 4.7 40.9 1.0
O G:VAL168 4.7 39.3 1.0
CA G:ILE170 4.8 37.7 1.0
NH2 G:ARG169 4.9 43.0 1.0
C G:ILE170 4.9 37.5 1.0
CB G:ARG169 4.9 39.2 1.0
CZ G:ARG169 4.9 42.7 1.0

Reference:

M.J.Smeulders, T.R.Barends, A.Pol, A.Scherer, M.H.Zandvoort, A.Udvarhelyi, A.F.Khadem, A.Menzel, J.Hermans, R.L.Shoeman, H.J.Wessels, L.P.Van Den Heuvel, L.Russ, I.Schlichting, M.S.Jetten, H.J.Op Den Camp. Evolution of A New Enzyme For Carbon Disulphide Conversion By An Acidothermophilic Archaeon. Nature V. 478 412 2011.
ISSN: ISSN 0028-0836
PubMed: 22012399
DOI: 10.1038/NATURE10464
Page generated: Sun Jul 21 05:07:29 2024

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