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Chlorine in PDB 3lor: The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A

Protein crystallography data

The structure of The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A, PDB code: 3lor was solved by A.J.Stein, J.Osipiuk, A.Weger, G.Cobb, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.40 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.190, 78.892, 124.229, 90.00, 90.00, 90.00
R / Rfree (%) 21.2 / 25.9

Other elements in 3lor:

The structure of The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A (pdb code 3lor). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A, PDB code: 3lor:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 3lor

Go back to Chlorine Binding Sites List in 3lor
Chlorine binding site 1 out of 5 in the The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl161

b:31.8
occ:1.00
 N A:LYS95 3.0 12.7 1.0
NH2 A:ARG58 3.4 22.9 1.0
OE1 A:GLN54 3.5 15.3 1.0
CB A:GLN54 3.6 11.8 1.0
CZ A:ARG58 3.6 23.3 1.0
CD2 A:HIS57 3.6 12.1 1.0
CG A:GLN54 3.7 13.3 1.0
O A:GLY93 3.7 12.2 1.0
NH1 A:ARG58 3.7 24.4 1.0
CB A:LYS95 3.8 12.6 1.0
CA A:ILE94 3.9 12.7 1.0
CA A:LYS95 3.9 13.1 1.0
CA A:GLN54 3.9 12.2 1.0
C A:ILE94 3.9 12.8 1.0
CD1 A:PHE96 3.9 10.4 1.0
CD A:GLN54 4.0 14.3 1.0
N A:PHE96 4.1 12.1 1.0
CG A:HIS57 4.3 12.2 1.0
NE A:ARG58 4.3 21.9 1.0
CE1 A:PHE96 4.4 9.3 1.0
C A:LYS95 4.4 13.0 1.0
O A:GLN54 4.5 12.2 1.0
NE2 A:HIS57 4.5 12.9 1.0
CB A:HIS57 4.5 11.0 1.0
C A:GLY93 4.6 12.4 1.0
CG A:LYS95 4.6 13.7 1.0
C A:GLN54 4.7 12.4 1.0
N A:ILE94 4.7 12.6 1.0
CG2 A:ILE94 4.8 13.0 1.0
CB A:ILE94 4.8 13.0 1.0
CG A:PHE96 4.9 10.7 1.0
CG A:ARG58 4.9 16.1 1.0
CD A:LYS95 4.9 17.8 1.0
N A:GLN54 5.0 11.9 1.0

Chlorine binding site 2 out of 5 in 3lor

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Chlorine binding site 2 out of 5 in the The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl161

b:29.5
occ:1.00
 N B:LYS95 3.0 12.6 1.0
CG B:GLN54 3.6 12.1 1.0
OE1 B:GLN54 3.6 12.8 1.0
CB B:GLN54 3.7 12.0 1.0
CB B:LYS95 3.7 12.7 1.0
CD2 B:HIS57 3.7 4.3 1.0
CA B:LYS95 3.8 12.9 1.0
C B:ILE94 3.9 13.2 1.0
O B:GLY93 3.9 12.1 1.0
CA B:GLN54 3.9 12.1 1.0
CA B:ILE94 3.9 12.4 1.0
CD1 B:PHE96 4.0 10.1 1.0
CD B:GLN54 4.1 13.9 1.0
CG B:LYS95 4.1 15.2 1.0
N B:PHE96 4.1 11.4 1.0
CE1 B:PHE96 4.3 11.3 1.0
O B:GLN54 4.4 12.0 1.0
CG B:HIS57 4.4 4.5 1.0
C B:LYS95 4.5 12.7 1.0
CB B:HIS57 4.5 5.7 1.0
C B:GLN54 4.6 12.2 1.0
NE2 B:HIS57 4.7 5.4 1.0
C B:GLY93 4.7 12.2 1.0
CG2 B:ILE94 4.8 11.0 1.0
N B:ILE94 4.8 12.3 1.0
CB B:ILE94 4.9 12.9 1.0
CG B:PHE96 4.9 10.5 1.0
O B:ILE94 5.0 14.3 1.0

Chlorine binding site 3 out of 5 in 3lor

Go back to Chlorine Binding Sites List in 3lor
Chlorine binding site 3 out of 5 in the The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl161

b:50.3
occ:1.00
 N C:LYS95 3.1 13.3 1.0
OE1 C:GLN54 3.5 12.9 1.0
CB C:GLN54 3.6 13.7 1.0
ND1 C:HIS57 3.7 15.7 1.0
CG C:GLN54 3.7 13.5 1.0
CB C:LYS95 3.8 13.5 1.0
NH1 C:ARG58 3.8 19.8 1.0
CA C:GLN54 3.9 14.3 1.0
NE C:ARG58 3.9 19.2 1.0
O C:GLY93 3.9 13.8 1.0
CA C:ILE94 3.9 13.5 1.0
CZ C:ARG58 3.9 19.7 1.0
CA C:LYS95 3.9 13.3 1.0
CD1 C:PHE96 4.0 13.2 1.0
C C:ILE94 4.0 13.4 1.0
CD C:GLN54 4.0 13.4 1.0
N C:PHE96 4.2 13.2 1.0
CE1 C:PHE96 4.3 12.1 1.0
CG C:LYS95 4.3 13.7 1.0
CE1 C:HIS57 4.5 16.2 1.0
O C:GLN54 4.5 14.8 1.0
C C:LYS95 4.5 13.6 1.0
C C:GLN54 4.6 14.8 1.0
CG C:HIS57 4.7 16.0 1.0
CD C:ARG58 4.7 18.9 1.0
NH2 C:ARG58 4.7 19.4 1.0
C C:GLY93 4.7 13.8 1.0
CG2 C:ILE94 4.7 13.0 1.0
CB C:HIS57 4.8 15.9 1.0
CB C:ILE94 4.8 13.8 1.0
N C:ILE94 4.8 13.5 1.0
CG C:PHE96 4.9 13.1 1.0
CG C:ARG58 5.0 18.1 1.0
CD C:LYS95 5.0 16.1 1.0

Chlorine binding site 4 out of 5 in 3lor

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Chlorine binding site 4 out of 5 in the The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl161

b:33.4
occ:1.00
 N D:LYS95 3.2 13.3 1.0
CG D:GLN54 3.5 14.0 1.0
NE2 D:GLN54 3.5 14.1 1.0
CD2 D:HIS57 3.6 13.9 1.0
CB D:GLN54 3.8 15.6 1.0
CA D:GLN54 3.9 14.9 1.0
CB D:LYS95 3.9 14.1 1.0
CD1 D:PHE96 4.0 10.0 1.0
CA D:ILE94 4.0 13.1 1.0
O D:GLY93 4.0 12.2 1.0
CA D:LYS95 4.0 14.0 1.0
CD D:GLN54 4.0 15.7 1.0
C D:ILE94 4.1 13.4 1.0
N D:PHE96 4.2 13.9 1.0
CG D:LYS95 4.2 14.9 1.0
CE1 D:PHE96 4.3 9.8 1.0
CG D:HIS57 4.3 13.8 1.0
O D:GLN54 4.3 15.2 1.0
CD D:LYS95 4.5 16.6 1.0
NE2 D:HIS57 4.5 12.7 1.0
C D:LYS95 4.5 14.3 1.0
CB D:HIS57 4.5 14.0 1.0
C D:GLN54 4.6 15.2 1.0
CG2 D:ILE94 4.8 11.8 1.0
C D:GLY93 4.8 12.6 1.0
CB D:ILE94 4.9 13.3 1.0
CG D:PHE96 4.9 11.1 1.0
N D:ILE94 4.9 13.0 1.0
CG D:ARG58 5.0 17.0 1.0

Chlorine binding site 5 out of 5 in 3lor

Go back to Chlorine Binding Sites List in 3lor
Chlorine binding site 5 out of 5 in the The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl162

b:59.3
occ:1.00
 O D:GLN107 3.1 18.0 1.0
N D:ARG104 3.1 14.0 1.0
O D:ILE109 3.3 17.4 1.0
CA D:PRO103 3.4 14.2 1.0
C D:ILE109 3.4 17.6 1.0
CA D:PRO110 3.5 16.8 1.0
N D:PRO110 3.5 17.1 1.0
CB D:PRO103 3.6 14.5 1.0
O D:ARG108 3.6 18.2 1.0
O D:ARG104 3.7 14.8 1.0
C D:PRO103 3.8 14.0 1.0
CB D:PRO110 3.9 17.4 1.0
C D:ARG108 3.9 18.1 1.0
C D:GLN107 4.0 17.9 1.0
CD D:PRO110 4.1 16.8 1.0
CA D:ARG104 4.2 14.3 1.0
N D:ILE109 4.3 17.6 1.0
CA D:ILE109 4.3 17.6 1.0
C D:ARG104 4.4 14.7 1.0
CB D:ARG104 4.5 14.0 1.0
CG D:PRO110 4.6 16.9 1.0
CB D:GLN107 4.6 17.9 1.0
CA D:ARG108 4.7 18.2 1.0
N D:PRO103 4.7 14.2 1.0
N D:ARG108 4.7 18.1 1.0
C D:PRO110 4.8 16.9 1.0
CA D:GLN107 4.9 17.9 1.0
O D:PRO103 5.0 13.9 1.0
CG D:PRO103 5.0 14.3 1.0
O D:MSE102 5.0 13.7 1.0

Reference:

A.J.Stein, J.Osipiuk, A.Weger, G.Cobb, A.Joachimiak. The Crystal Structure of A Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 2.2A To Be Published.
Page generated: Sat Dec 12 09:53:33 2020

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