Chlorine in PDB 6kvw: The Complex Structure of Eanb/C339A/C370A and Hercynine

Protein crystallography data

The structure of The Complex Structure of Eanb/C339A/C370A and Hercynine, PDB code: 6kvw was solved by L.Wu, P.H.Liu, J.H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.25
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 87.823, 110.851, 120.760, 90.00, 90.00, 90.00
R / Rfree (%) 21.7 / 23.6

Other elements in 6kvw:

The structure of The Complex Structure of Eanb/C339A/C370A and Hercynine also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms
Zinc (Zn) 1 atom
Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Complex Structure of Eanb/C339A/C370A and Hercynine (pdb code 6kvw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Complex Structure of Eanb/C339A/C370A and Hercynine, PDB code: 6kvw:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6kvw

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Chlorine binding site 1 out of 4 in the The Complex Structure of Eanb/C339A/C370A and Hercynine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Complex Structure of Eanb/C339A/C370A and Hercynine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:29.9
occ:1.00
 O A:HOH763 3.1 33.3 1.0
NH1 A:ARG381 3.2 34.2 1.0
N A:HIS261 3.2 31.6 1.0
C A:ALA259 3.4 32.8 1.0
N A:ILE262 3.5 32.2 1.0
CA A:ALA259 3.5 32.4 1.0
CB A:HIS261 3.6 33.5 1.0
N A:GLY260 3.6 31.8 1.0
NH2 A:ARG381 3.6 32.4 1.0
CG1 A:ILE262 3.7 33.6 1.0
CD1 A:PHE245 3.7 34.1 1.0
CA A:HIS261 3.8 31.6 1.0
O A:ALA259 3.8 32.3 1.0
CZ A:ARG381 3.9 33.4 1.0
CB A:ALA259 3.9 32.5 1.0
C A:HIS261 4.1 32.5 1.0
CB A:PHE245 4.2 32.8 1.0
C A:GLY260 4.2 32.1 1.0
CA A:PHE245 4.3 32.7 1.0
CD1 A:ILE262 4.4 34.5 1.0
CG A:PHE245 4.4 34.0 1.0
CA A:GLY260 4.5 34.0 1.0
CB A:ILE262 4.5 32.6 1.0
CA A:ILE262 4.6 32.6 1.0
O A:ALA258 4.7 32.4 1.0
CE1 A:PHE245 4.7 34.3 1.0
N A:PHE245 4.8 32.7 1.0
N A:ALA259 4.8 32.8 1.0
CG A:HIS261 5.0 32.7 1.0

Chlorine binding site 2 out of 4 in 6kvw

Go back to Chlorine Binding Sites List in 6kvw
Chlorine binding site 2 out of 4 in the The Complex Structure of Eanb/C339A/C370A and Hercynine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Complex Structure of Eanb/C339A/C370A and Hercynine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:44.1
occ:1.00
 O A:HOH661 2.8 31.0 1.0
O A:ALA186 2.8 29.6 1.0
N A:LYS244 3.0 32.6 1.0
NE2 A:HIS185 3.0 30.8 1.0
CD2 A:HIS185 3.4 30.6 1.0
CB A:ALA193 3.5 33.8 1.0
CB A:LYS244 3.5 32.3 1.0
O A:LYS244 3.6 31.9 1.0
CA A:GLY260 3.6 34.0 1.0
CA A:LYS244 3.7 32.2 1.0
CB A:HIS187 3.9 30.7 1.0
C A:GLY243 3.9 32.4 1.0
CA A:GLY243 4.0 31.6 1.0
C A:ALA186 4.0 29.5 1.0
C A:LYS244 4.1 32.0 1.0
CE1 A:HIS185 4.2 31.0 1.0
CA A:HIS187 4.2 30.6 1.0
C A:GLY260 4.5 32.1 1.0
N A:HIS187 4.6 29.9 1.0
N A:GLY260 4.6 31.8 1.0
CA A:ALA193 4.7 31.6 1.0
O A:ALA193 4.7 33.1 1.0
O A:HOH649 4.7 31.4 1.0
C A:ALA193 4.7 31.0 1.0
CG A:HIS185 4.7 30.5 1.0
O A:GLY260 4.7 31.6 1.0
CG A:LYS244 4.8 32.2 1.0

Chlorine binding site 3 out of 4 in 6kvw

Go back to Chlorine Binding Sites List in 6kvw
Chlorine binding site 3 out of 4 in the The Complex Structure of Eanb/C339A/C370A and Hercynine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Complex Structure of Eanb/C339A/C370A and Hercynine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:26.4
occ:1.00
 OH B:TYR411 2.9 23.0 1.0
O B:HOH635 3.1 26.6 1.0
NH1 B:ARG341 3.2 27.4 1.0
N B:ILE362 3.3 26.1 1.0
CB B:ARG361 3.5 28.5 1.0
CA B:ARG361 3.5 28.1 1.0
CE2 B:TYR411 3.6 22.2 1.0
CZ B:TYR411 3.7 23.2 1.0
CB B:ALA339 3.7 22.2 1.0
CD B:ARG341 3.7 24.0 1.0
C B:ARG361 4.0 27.0 1.0
CZ B:ARG341 4.2 26.2 1.0
CG1 B:ILE362 4.3 25.5 1.0
CB B:ILE362 4.4 25.5 1.0
CA B:ILE362 4.4 26.2 1.0
NE B:ARG341 4.4 25.1 1.0
CD1 B:TYR346 4.7 27.7 1.0
O B:GLY360 4.7 28.8 1.0
O B:ILE362 4.8 25.8 1.0
N B:ARG361 4.8 28.2 1.0
CA B:ALA339 4.9 23.0 1.0
CG B:ARG361 4.9 29.1 1.0
CG B:ARG341 4.9 23.7 1.0
CD2 B:TYR411 4.9 21.5 1.0
CE1 B:TYR346 5.0 27.6 1.0
CE1 B:TYR411 5.0 22.0 1.0

Chlorine binding site 4 out of 4 in 6kvw

Go back to Chlorine Binding Sites List in 6kvw
Chlorine binding site 4 out of 4 in the The Complex Structure of Eanb/C339A/C370A and Hercynine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Complex Structure of Eanb/C339A/C370A and Hercynine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:23.4
occ:1.00
 O B:HOH761 3.1 25.3 1.0
N B:HIS261 3.2 25.0 1.0
NH1 B:ARG381 3.2 23.4 1.0
C B:ALA259 3.4 25.1 1.0
N B:ILE262 3.5 17.1 1.0
CA B:ALA259 3.5 23.6 1.0
N B:GLY260 3.6 22.4 1.0
NH2 B:ARG381 3.6 21.7 1.0
CB B:HIS261 3.6 20.4 1.0
CG1 B:ILE262 3.7 22.8 1.0
CD1 B:PHE245 3.7 26.3 1.0
CA B:HIS261 3.8 25.1 1.0
O B:ALA259 3.8 21.8 1.0
CZ B:ARG381 3.9 25.2 1.0
CB B:ALA259 4.0 23.9 1.0
C B:HIS261 4.1 24.2 1.0
CB B:PHE245 4.1 25.9 1.0
C B:GLY260 4.2 21.6 1.0
CA B:PHE245 4.3 24.7 1.0
CG B:PHE245 4.4 26.6 1.0
CD1 B:ILE262 4.5 23.5 1.0
CA B:GLY260 4.5 22.5 1.0
CB B:ILE262 4.5 22.1 1.0
CA B:ILE262 4.6 24.4 1.0
O B:ALA258 4.7 23.9 1.0
CE1 B:PHE245 4.7 27.4 1.0
N B:PHE245 4.8 23.3 1.0
N B:ALA259 4.8 23.9 1.0

Reference:

L.Wu, P.H.Liu, J.H.Zhou. The Complex Structure of Eanb/C339A/C370A and Hercynine To Be Published.
Page generated: Sat Dec 12 13:15:07 2020

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