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Chlorine in PDB 7c6x: Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I)

Protein crystallography data

The structure of Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I), PDB code: 7c6x was solved by S.P.Kanaujia, M.Chandravanshi, R.Samanta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 82.19 / 2.65
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 80.990, 116.400, 132.140, 83.39, 88.73, 89.95
R / Rfree (%) 24.3 / 26.8

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I) (pdb code 7c6x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I), PDB code: 7c6x:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in 7c6x

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Chlorine binding site 1 out of 14 in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I)


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 Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:0.9
occ:1.00
 NE1 A:TRP188 3.1 5.9 1.0
N A:ILE194 3.3 14.6 1.0
CD1 A:ILE194 3.5 13.5 1.0
CB A:GLU193 3.8 15.9 1.0
CE2 A:TRP188 3.9 5.8 1.0
CA A:GLU193 4.0 15.0 1.0
CB A:ILE194 4.0 13.9 1.0
CD1 A:TRP188 4.1 6.0 1.0
CZ2 A:TRP188 4.1 5.7 1.0
CD A:PRO367 4.1 8.2 1.0
C A:GLU193 4.1 14.9 1.0
CA A:ILE194 4.2 14.6 1.0
N A:VAL195 4.2 15.8 1.0
CG1 A:ILE194 4.4 13.6 1.0
O A:VAL195 4.4 18.1 1.0
CD1 A:TYR366 4.5 8.2 1.0
CA A:TYR366 4.7 8.1 1.0
NH2 A:ARG364 4.7 8.4 1.0
C A:ILE194 4.8 15.0 1.0
CG2 A:VAL195 4.8 16.6 1.0
CG A:PRO367 4.9 8.3 1.0

Chlorine binding site 2 out of 14 in 7c6x

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Chlorine binding site 2 out of 14 in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I)


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 Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:9.3
occ:1.00
 NE1 B:TRP188 2.8 6.0 1.0
CD1 B:ILE194 3.6 14.5 1.0
CE2 B:TRP188 3.7 5.8 1.0
N B:ILE194 3.7 13.5 1.0
CZ2 B:TRP188 3.8 5.7 1.0
CD1 B:TRP188 3.9 6.1 1.0
CB B:GLU193 4.0 13.2 1.0
CD B:PRO367 4.1 7.9 1.0
CA B:GLU193 4.2 12.3 1.0
CB B:ILE194 4.3 14.2 1.0
CD1 B:TYR366 4.4 7.6 1.0
C B:GLU193 4.4 12.5 1.0
CA B:TYR366 4.5 7.5 1.0
NH2 B:ARG364 4.5 6.6 1.0
CG1 B:ILE194 4.5 14.2 1.0
CA B:ILE194 4.5 14.2 1.0
N B:VAL195 4.6 16.1 1.0
O B:THR365 4.7 7.3 1.0
O B:VAL195 4.7 19.4 1.0
NE B:ARG364 4.7 6.5 1.0
CG B:PRO367 4.9 8.1 1.0
CD2 B:TRP188 4.9 5.9 1.0

Chlorine binding site 3 out of 14 in 7c6x

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Chlorine binding site 3 out of 14 in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I)


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 Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:13.8
occ:1.00
 NE1 C:TRP188 3.2 6.2 1.0
N C:ILE194 3.6 15.2 1.0
CD1 C:ILE194 3.6 15.2 1.0
CD C:PRO367 3.8 13.3 1.0
CE2 C:TRP188 4.0 5.9 1.0
CZ2 C:TRP188 4.0 5.7 1.0
CB C:GLU193 4.1 16.5 1.0
CB C:ILE194 4.2 15.5 1.0
CD1 C:TRP188 4.3 6.3 1.0
N C:VAL195 4.3 18.9 1.0
CD1 C:TYR366 4.3 13.8 1.0
CA C:GLU193 4.4 15.3 1.0
CA C:ILE194 4.4 15.8 1.0
C C:GLU193 4.5 15.0 1.0
CA C:TYR366 4.5 13.3 1.0
CG1 C:ILE194 4.5 15.2 1.0
O C:VAL195 4.5 20.9 1.0
CG C:PRO367 4.6 13.6 1.0
CG2 C:VAL195 4.6 19.8 1.0
NH2 C:ARG364 4.8 13.9 1.0
O C:THR365 4.8 13.4 1.0
C C:ILE194 4.9 16.9 1.0
N C:PRO367 4.9 13.2 1.0

Chlorine binding site 4 out of 14 in 7c6x

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Chlorine binding site 4 out of 14 in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I)


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 Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:3.5
occ:1.00
 NE1 D:TRP188 3.1 6.0 1.0
N D:ILE194 3.4 11.8 1.0
CD1 D:ILE194 3.6 11.9 1.0
CB D:GLU193 3.8 11.0 1.0
CD D:PRO367 4.0 6.7 1.0
CE2 D:TRP188 4.0 5.8 1.0
CA D:GLU193 4.1 10.4 1.0
CB D:ILE194 4.1 12.2 1.0
N D:VAL195 4.1 15.2 1.0
CD1 D:TRP188 4.2 6.1 1.0
CZ2 D:TRP188 4.2 5.7 1.0
C D:GLU193 4.2 11.0 1.0
CA D:ILE194 4.2 12.4 1.0
O D:VAL195 4.4 18.8 1.0
CG1 D:ILE194 4.4 11.9 1.0
CD1 D:TYR366 4.5 5.8 1.0
CA D:TYR366 4.7 5.9 1.0
C D:ILE194 4.7 13.7 1.0
NH2 D:ARG364 4.7 6.5 1.0
CG D:PRO367 4.7 6.9 1.0
CG2 D:VAL195 4.8 16.2 1.0

Chlorine binding site 5 out of 14 in 7c6x

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Chlorine binding site 5 out of 14 in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I)


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 Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl502

b:0.6
occ:1.00
 NE D:ARG291 3.5 7.9 1.0
CB D:ARG291 3.7 7.6 1.0
NH2 D:ARG291 3.9 8.1 1.0
CB D:ALA286 4.1 6.6 1.0
CZ D:ARG291 4.2 7.9 1.0
N D:ARG291 4.4 8.0 1.0
CE1 D:PHE362 4.4 9.2 1.0
CD D:ARG291 4.5 7.6 1.0
CG D:ARG291 4.7 7.5 1.0
CA D:ARG291 4.7 7.5 1.0
CZ D:PHE362 4.8 9.1 1.0

Chlorine binding site 6 out of 14 in 7c6x

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Chlorine binding site 6 out of 14 in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I)


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 Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl501

b:7.5
occ:1.00
 NE1 E:TRP188 3.2 5.9 1.0
N E:ILE194 3.5 8.2 1.0
CD E:PRO367 3.7 6.0 1.0
CD1 E:ILE194 3.8 7.9 1.0
CB E:GLU193 4.0 8.6 1.0
CE2 E:TRP188 4.0 5.8 1.0
CZ2 E:TRP188 4.1 5.7 1.0
CB E:ILE194 4.1 8.1 1.0
CA E:GLU193 4.2 8.3 1.0
N E:VAL195 4.2 9.5 1.0
C E:GLU193 4.3 8.2 1.0
CD1 E:TRP188 4.3 6.0 1.0
CA E:ILE194 4.3 8.4 1.0
CA E:TYR366 4.4 5.8 1.0
CD1 E:TYR366 4.4 5.7 1.0
CG E:PRO367 4.5 6.2 1.0
O E:VAL195 4.5 11.6 1.0
CG1 E:ILE194 4.5 7.9 1.0
CG2 E:VAL195 4.7 9.8 1.0
O E:THR365 4.7 5.8 1.0
NH2 E:ARG364 4.8 6.3 1.0
C E:ILE194 4.8 8.8 1.0
N E:PRO367 4.8 6.0 1.0

Chlorine binding site 7 out of 14 in 7c6x

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Chlorine binding site 7 out of 14 in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I)


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 Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl501

b:13.8
occ:1.00
 NE1 F:TRP188 3.1 7.5 1.0
N F:ILE194 3.5 13.5 1.0
CB F:GLU193 3.6 13.5 1.0
CD1 F:ILE194 3.9 13.0 1.0
CA F:GLU193 3.9 12.9 1.0
CE2 F:TRP188 4.0 7.2 1.0
CD1 F:TRP188 4.1 7.6 1.0
CD F:PRO367 4.1 8.2 1.0
C F:GLU193 4.2 13.1 1.0
N F:VAL195 4.2 16.8 1.0
O F:VAL195 4.3 19.6 1.0
CZ2 F:TRP188 4.3 7.1 1.0
NH2 F:ARG364 4.4 8.8 1.0
CB F:ILE194 4.4 13.4 1.0
CA F:ILE194 4.4 14.0 1.0
CG1 F:ILE194 4.8 13.1 1.0
CG F:PRO367 4.8 8.5 1.0
CG2 F:VAL195 4.8 17.2 1.0
OE1 F:GLU193 4.8 15.4 1.0
CA F:TYR366 4.9 7.4 1.0
CG F:GLU193 4.9 14.2 1.0
NE F:ARG364 4.9 8.7 1.0
C F:ILE194 4.9 15.3 1.0
CD1 F:TYR366 4.9 6.8 1.0

Chlorine binding site 8 out of 14 in 7c6x

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Chlorine binding site 8 out of 14 in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I)


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 Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl501

b:9.8
occ:1.00
 NE1 G:TRP188 3.1 9.3 1.0
N G:ILE194 3.5 13.7 1.0
CD1 G:ILE194 3.8 13.7 1.0
CB G:GLU193 3.8 13.7 1.0
CE2 G:TRP188 3.9 9.1 1.0
CD G:PRO367 4.0 9.1 1.0
CZ2 G:TRP188 4.0 9.2 1.0
CD1 G:TRP188 4.1 9.2 1.0
CA G:GLU193 4.1 13.0 1.0
CB G:ILE194 4.3 13.9 1.0
N G:VAL195 4.3 17.9 1.0
C G:GLU193 4.3 13.2 1.0
CA G:ILE194 4.4 14.4 1.0
O G:VAL195 4.4 22.4 1.0
NH2 G:ARG364 4.5 8.3 1.0
CD1 G:TYR366 4.6 8.1 1.0
CG1 G:ILE194 4.6 13.6 1.0
CA G:TYR366 4.6 8.4 1.0
CG G:PRO367 4.7 9.3 1.0
CG2 G:VAL195 4.8 19.5 1.0
O G:THR365 4.8 8.7 1.0
NE G:ARG364 4.9 8.2 1.0
C G:ILE194 4.9 15.7 1.0

Chlorine binding site 9 out of 14 in 7c6x

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Chlorine binding site 9 out of 14 in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I)


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 Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl501

b:3.0
occ:1.00
 NE H:ARG291 3.4 9.0 1.0
NE I:ARG291 3.4 10.9 1.0
CB H:ARG291 3.6 9.2 1.0
CB I:ARG291 3.6 10.6 1.0
NH2 H:ARG291 3.9 8.9 1.0
NH2 I:ARG291 3.9 11.1 1.0
CB H:ALA286 4.0 9.1 1.0
CB I:ALA286 4.1 6.4 1.0
CZ H:ARG291 4.1 9.0 1.0
CZ I:ARG291 4.1 11.1 1.0
N H:ARG291 4.3 10.0 1.0
CD H:ARG291 4.3 9.0 1.0
CE1 H:PHE362 4.3 9.6 1.0
CD I:ARG291 4.3 10.8 1.0
CE1 I:PHE362 4.4 8.7 1.0
N I:ARG291 4.4 10.8 1.0
CG H:ARG291 4.5 9.0 1.0
CA H:ARG291 4.6 9.4 1.0
CG I:ARG291 4.6 10.7 1.0
CA I:ARG291 4.7 10.5 1.0
CZ H:PHE362 4.7 9.6 1.0
CZ I:PHE362 4.7 8.6 1.0

Chlorine binding site 10 out of 14 in 7c6x

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Chlorine binding site 10 out of 14 in the Crystal Structure of Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I)


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 Beta-Glycosides-Binding Protein (W41A) of Abc Transporter in An Open State (Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl502

b:0.5
occ:1.00
 NE1 H:TRP188 3.1 6.4 1.0
N H:ILE194 3.2 13.8 1.0
CD1 H:ILE194 3.5 13.0 1.0
CB H:GLU193 3.7 15.0 1.0
CA H:GLU193 4.0 14.0 1.0
CE2 H:TRP188 4.0 6.2 1.0
CB H:ILE194 4.0 13.1 1.0
C H:GLU193 4.1 14.0 1.0
CD H:PRO367 4.1 9.6 1.0
N H:VAL195 4.1 15.1 1.0
CA H:ILE194 4.1 13.8 1.0
CD1 H:TRP188 4.1 6.4 1.0
CZ2 H:TRP188 4.2 6.2 1.0
CG1 H:ILE194 4.3 12.8 1.0
O H:VAL195 4.3 16.7 1.0
CD1 H:TYR366 4.5 9.8 1.0
C H:ILE194 4.7 14.3 1.0
CA H:TYR366 4.7 10.0 1.0
NH2 H:ARG364 4.7 11.8 1.0
CG2 H:VAL195 4.8 15.2 1.0
CG H:PRO367 4.8 9.7 1.0

Reference:

M.Chandravanshi, R.Samanta, S.P.Kanaujia. Conformational Trapping of A Beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of Abc Importers. J.Mol.Biol. V. 432 5711 2020.
ISSN: ESSN 1089-8638
PubMed: 32866452
DOI: 10.1016/J.JMB.2020.08.021
Page generated: Mon Jul 29 19:36:38 2024

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