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Chlorine in PDB 1gut: Mopii From Clostridium Pasteurianum (APO2)

Protein crystallography data

The structure of Mopii From Clostridium Pasteurianum (APO2), PDB code: 1gut was solved by A.W.Schuettelkopf, J.A.Harrison, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 1.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 78.961, 82.328, 57.031, 90.00, 93.44, 90.00
R / Rfree (%) 17.8 / 22.2

Other elements in 1gut:

The structure of Mopii From Clostridium Pasteurianum (APO2) also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mopii From Clostridium Pasteurianum (APO2) (pdb code 1gut). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Mopii From Clostridium Pasteurianum (APO2), PDB code: 1gut:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 1gut

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Chlorine binding site 1 out of 9 in the Mopii From Clostridium Pasteurianum (APO2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mopii From Clostridium Pasteurianum (APO2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1069

b:17.3
occ:1.00
 OG A:SER61 2.7 8.9 0.5
O E:HOH2041 2.8 29.5 1.0
NZ A:LYS60 3.0 9.3 1.0
CG A:LYS60 3.6 10.2 1.0
O A:HOH2057 3.6 15.1 1.0
N A:THR62 3.6 8.5 1.0
CG2 A:THR62 3.7 10.9 1.0
N E:SER40 3.7 16.3 1.0
N A:SER61 3.8 7.5 1.0
CE A:LYS60 3.8 11.0 1.0
CB A:SER61 3.8 8.9 0.5
OG1 A:THR62 3.8 9.2 1.0
CB A:SER61 3.9 8.4 0.5
CD1 D:ILE38 4.0 15.8 1.0
CA E:ILE39 4.0 14.0 1.0
CA A:SER61 4.1 8.0 1.0
C E:ILE39 4.2 14.9 1.0
CD A:LYS60 4.3 10.2 1.0
CB A:THR62 4.3 9.5 1.0
C A:SER61 4.3 8.9 1.0
O E:HOH2024 4.4 19.5 1.0
O E:HOH2040 4.4 19.1 1.0
OG A:SER61 4.4 9.7 0.5
CB E:SER40 4.5 19.2 1.0
CA A:THR62 4.5 8.7 1.0
CA E:SER40 4.6 17.8 1.0
O E:ILE38 4.6 10.8 1.0
CB E:ILE39 4.7 15.1 1.0
C A:LYS60 4.7 8.1 1.0
O A:HOH2056 4.7 33.5 1.0
CB A:LYS60 4.8 9.1 1.0
CG1 D:ILE38 4.9 12.2 1.0
CG2 E:ILE39 5.0 16.9 1.0
OG E:SER40 5.0 20.1 1.0

Chlorine binding site 2 out of 9 in 1gut

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Chlorine binding site 2 out of 9 in the Mopii From Clostridium Pasteurianum (APO2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mopii From Clostridium Pasteurianum (APO2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1070

b:23.6
occ:1.00
 O A:HOH2020 3.0 35.5 1.0
N A:LYS18 3.2 12.8 1.0
O A:HOH2004 3.2 43.3 0.5
CB A:LYS18 3.8 14.2 1.0
CA A:LYS17 3.8 13.4 1.0
C A:LYS17 4.0 13.3 1.0
CG A:LYS18 4.0 16.2 1.0
O A:LEU16 4.0 15.0 1.0
CA A:LYS18 4.0 13.8 1.0
O A:HOH2018 4.1 31.0 1.0
O A:LYS18 4.4 16.0 1.0
CD A:LYS18 4.5 19.5 1.0
N A:LYS17 4.6 12.4 1.0
C A:LEU16 4.7 14.0 1.0
C A:LYS18 4.7 14.0 1.0
CG A:LYS17 4.8 17.5 1.0
CB A:LYS17 4.9 14.8 1.0

Chlorine binding site 3 out of 9 in 1gut

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Chlorine binding site 3 out of 9 in the Mopii From Clostridium Pasteurianum (APO2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mopii From Clostridium Pasteurianum (APO2) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1069

b:17.1
occ:1.00
 OG B:SER61 2.7 9.1 0.5
O D:HOH2048 2.8 29.7 1.0
NZ B:LYS60 3.0 9.1 1.0
O B:HOH2057 3.6 17.1 1.0
CG B:LYS60 3.7 8.9 1.0
N B:THR62 3.7 7.9 1.0
N D:SER40 3.7 16.1 1.0
CG2 B:THR62 3.7 10.3 1.0
N B:SER61 3.8 7.5 1.0
CB B:SER61 3.8 9.6 0.5
CE B:LYS60 3.8 10.6 1.0
OG1 B:THR62 3.9 9.2 1.0
CB B:SER61 3.9 9.0 0.5
CD1 F:ILE38 4.0 13.9 1.0
CA D:ILE39 4.0 13.8 1.0
CA B:SER61 4.2 8.7 1.0
C D:ILE39 4.2 14.5 1.0
CB B:THR62 4.3 8.8 1.0
CD B:LYS60 4.3 10.0 1.0
C B:SER61 4.3 8.9 1.0
O D:HOH2028 4.4 19.0 1.0
CB D:SER40 4.4 18.9 1.0
O B:HOH2058 4.5 21.7 1.0
OG B:SER61 4.5 11.2 0.5
CA B:THR62 4.5 8.7 1.0
CA D:SER40 4.6 17.8 1.0
O B:HOH2056 4.6 31.2 1.0
O D:ILE38 4.6 11.2 1.0
C B:LYS60 4.7 8.3 1.0
CB D:ILE39 4.7 14.9 1.0
CB B:LYS60 4.9 9.0 1.0
OG D:SER40 4.9 20.1 1.0
CG1 F:ILE38 5.0 11.8 1.0

Chlorine binding site 4 out of 9 in 1gut

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Chlorine binding site 4 out of 9 in the Mopii From Clostridium Pasteurianum (APO2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mopii From Clostridium Pasteurianum (APO2) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1070

b:24.4
occ:1.00
 O B:HOH2021 3.0 37.9 1.0
N B:LYS18 3.2 13.5 1.0
CB B:LYS18 3.8 15.0 1.0
CA B:LYS17 3.9 14.3 1.0
CG B:LYS18 4.0 16.8 1.0
O B:HOH2017 4.0 32.9 1.0
O B:LEU16 4.0 15.6 1.0
C B:LYS17 4.0 14.2 1.0
CA B:LYS18 4.1 14.7 1.0
O B:LYS18 4.4 16.0 1.0
CD B:LYS18 4.4 20.4 1.0
C B:LEU16 4.7 14.2 1.0
N B:LYS17 4.7 13.4 1.0
C B:LYS18 4.7 14.9 1.0
CG B:LYS17 4.9 17.4 1.0
CB B:LYS17 4.9 15.3 1.0

Chlorine binding site 5 out of 9 in 1gut

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Chlorine binding site 5 out of 9 in the Mopii From Clostridium Pasteurianum (APO2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Mopii From Clostridium Pasteurianum (APO2) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1069

b:17.9
occ:1.00
 OG C:SER61 2.7 8.4 0.5
O F:HOH2051 2.7 31.0 1.0
NZ C:LYS60 3.1 9.1 1.0
O C:HOH2059 3.6 15.8 1.0
CG C:LYS60 3.6 9.0 1.0
N C:THR62 3.6 7.9 1.0
N F:SER40 3.7 17.0 1.0
CG2 C:THR62 3.7 10.0 1.0
N C:SER61 3.8 7.6 1.0
CB C:SER61 3.8 9.0 0.5
OG1 C:THR62 3.9 9.0 1.0
CE C:LYS60 3.9 10.7 1.0
CB C:SER61 3.9 8.5 0.5
CA F:ILE39 4.0 14.6 1.0
CD1 E:ILE38 4.0 15.3 1.0
CA C:SER61 4.1 8.4 1.0
C F:ILE39 4.2 15.6 1.0
C C:SER61 4.3 8.7 1.0
CB C:THR62 4.3 9.0 1.0
CD C:LYS60 4.3 11.0 1.0
O F:HOH2028 4.4 17.8 1.0
CB F:SER40 4.4 19.5 1.0
O C:HOH2058 4.4 20.1 1.0
OG C:SER61 4.5 10.1 0.5
CA C:THR62 4.5 8.7 1.0
CA F:SER40 4.6 18.2 1.0
O F:ILE38 4.6 11.1 1.0
C C:LYS60 4.7 8.6 1.0
CB F:ILE39 4.7 15.3 1.0
CB C:LYS60 4.9 9.4 1.0
CG1 E:ILE38 5.0 12.7 1.0

Chlorine binding site 6 out of 9 in 1gut

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Chlorine binding site 6 out of 9 in the Mopii From Clostridium Pasteurianum (APO2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Mopii From Clostridium Pasteurianum (APO2) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1070

b:23.7
occ:1.00
 O C:HOH2021 3.0 40.2 1.0
O C:HOH2005 3.1 40.6 1.0
N C:LYS18 3.2 13.2 1.0
CB C:LYS18 3.8 14.6 1.0
CA C:LYS17 3.8 13.8 1.0
O C:HOH2019 3.9 33.4 1.0
CG C:LYS18 4.0 16.4 1.0
O C:LEU16 4.0 15.1 1.0
C C:LYS17 4.0 13.4 1.0
CA C:LYS18 4.0 14.0 1.0
O C:LYS18 4.4 15.2 1.0
CD C:LYS18 4.5 19.9 1.0
C C:LEU16 4.6 14.1 1.0
N C:LYS17 4.6 12.9 1.0
C C:LYS18 4.7 14.2 1.0
CG C:LYS17 4.9 16.7 1.0
CB C:LYS17 4.9 14.6 1.0

Chlorine binding site 7 out of 9 in 1gut

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Chlorine binding site 7 out of 9 in the Mopii From Clostridium Pasteurianum (APO2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Mopii From Clostridium Pasteurianum (APO2) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1069

b:12.6
occ:1.00
 O B:HOH2043 3.0 18.0 1.0
N D:SER61 3.2 7.7 1.0
O D:HOH2064 3.2 14.1 1.0
OG D:SER61 3.3 11.4 1.0
N D:ARG6 3.3 12.2 1.0
O D:HOH2004 3.4 11.7 1.0
O D:SER4 3.7 13.7 1.0
CA D:ALA5 3.7 11.9 1.0
CG D:ARG6 3.7 16.6 1.0
CB D:SER61 3.8 9.9 1.0
CA D:LYS60 3.9 8.6 1.0
C D:ALA5 4.0 12.7 1.0
C D:LYS60 4.0 9.2 1.0
CA D:SER61 4.1 8.4 1.0
CB D:ARG6 4.1 13.7 1.0
CA D:ARG6 4.4 12.8 1.0
C D:SER4 4.4 13.2 1.0
CB D:LYS60 4.4 8.8 1.0
N D:ALA5 4.4 12.5 1.0
CB D:ALA5 4.7 12.8 1.0
O D:VAL59 4.8 8.8 1.0
CD D:ARG6 4.9 21.1 1.0
CG D:LYS60 4.9 10.0 1.0
O B:HOH2040 5.0 16.3 1.0

Chlorine binding site 8 out of 9 in 1gut

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Chlorine binding site 8 out of 9 in the Mopii From Clostridium Pasteurianum (APO2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Mopii From Clostridium Pasteurianum (APO2) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1069

b:11.9
occ:1.00
 O A:HOH2042 3.0 16.8 1.0
N E:SER61 3.2 7.9 1.0
O E:HOH2059 3.2 13.1 1.0
OG E:SER61 3.3 11.4 1.0
N E:ARG6 3.3 11.9 1.0
O E:HOH2004 3.4 11.8 1.0
O E:SER4 3.7 14.0 1.0
CA E:ALA5 3.7 11.9 1.0
CB E:SER61 3.7 9.5 1.0
CG E:ARG6 3.7 15.6 1.0
CA E:LYS60 3.9 8.8 1.0
C E:LYS60 4.0 8.8 1.0
C E:ALA5 4.0 12.8 1.0
CA E:SER61 4.1 8.2 1.0
CB E:ARG6 4.1 13.5 1.0
C E:SER4 4.3 13.1 1.0
CA E:ARG6 4.3 12.8 1.0
N E:ALA5 4.4 12.3 1.0
CB E:LYS60 4.4 8.8 1.0
CB E:ALA5 4.7 12.9 1.0
O E:VAL59 4.8 8.9 1.0
CG E:LYS60 4.9 9.9 1.0
O A:HOH2038 4.9 16.7 1.0
CD E:ARG6 5.0 19.2 1.0
O D:HOH2068 5.0 18.4 1.0

Chlorine binding site 9 out of 9 in 1gut

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Chlorine binding site 9 out of 9 in the Mopii From Clostridium Pasteurianum (APO2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Mopii From Clostridium Pasteurianum (APO2) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1069

b:12.7
occ:1.00
 O C:HOH2046 3.0 17.1 1.0
N F:SER61 3.2 8.8 1.0
O F:HOH2067 3.2 14.7 1.0
OG F:SER61 3.3 11.3 1.0
N F:ARG6 3.3 11.9 1.0
O F:HOH2002 3.4 11.6 1.0
CA F:ALA5 3.7 11.9 1.0
CG F:ARG6 3.7 15.8 1.0
O F:SER4 3.7 13.7 1.0
CB F:SER61 3.8 10.3 1.0
CA F:LYS60 3.8 9.6 1.0
C F:LYS60 4.0 10.0 1.0
C F:ALA5 4.0 12.3 1.0
CA F:SER61 4.1 9.0 1.0
CB F:ARG6 4.1 13.4 1.0
C F:SER4 4.3 12.9 1.0
CA F:ARG6 4.3 12.6 1.0
CB F:LYS60 4.4 10.4 1.0
N F:ALA5 4.4 11.9 1.0
CB F:ALA5 4.6 13.3 1.0
O F:VAL59 4.8 9.0 1.0
CD F:ARG6 4.8 19.5 1.0
CG F:LYS60 4.9 11.5 1.0
O C:HOH2041 5.0 16.4 1.0

Reference:

A.W.Schuettelkopf, J.A.Harrison, D.H.Boxer, W.N.Hunter. Passive Acquisition of Ligand By the Mopii Molbindin From Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms J.Biol.Chem. V. 277 15013 2002.
ISSN: ISSN 0021-9258
PubMed: 11836258
DOI: 10.1074/JBC.M201005200
Page generated: Fri Jul 19 22:18:44 2024

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