Atomistry » Chlorine » PDB 4nte-4o0a » 4nte
Atomistry »
  Chlorine »
    PDB 4nte-4o0a »
      4nte »

Chlorine in PDB 4nte: Crystal Structure of Deph

Protein crystallography data

The structure of Crystal Structure of Deph, PDB code: 4nte was solved by D.H.Scharf, M.Groll, A.Habel, T.Heinekamp, C.Hertweck, A.A.Brakhage, E.M.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.90
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 78.220, 78.220, 188.080, 90.00, 90.00, 120.00
R / Rfree (%) 17.4 / 19.9

Other elements in 4nte:

The structure of Crystal Structure of Deph also contains other interesting chemical elements:

Sodium (Na) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Deph (pdb code 4nte). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Deph, PDB code: 4nte:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4nte

Go back to Chlorine Binding Sites List in 4nte
Chlorine binding site 1 out of 6 in the Crystal Structure of Deph


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 Deph within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:48.2
occ:1.00
CG A:HIS271 3.5 36.2 1.0
O A:HOH481 3.5 32.3 1.0
CB A:HIS271 3.6 35.0 1.0
CD2 A:HIS271 3.7 36.3 1.0
ND1 A:HIS271 4.0 37.1 1.0
OH A:TYR249 4.2 42.1 1.0
NE2 A:HIS271 4.3 36.8 1.0
CE1 A:HIS271 4.5 36.7 1.0
CE1 A:TYR249 4.6 38.4 1.0
CZ A:TYR249 4.8 39.1 1.0

Chlorine binding site 2 out of 6 in 4nte

Go back to Chlorine Binding Sites List in 4nte
Chlorine binding site 2 out of 6 in the Crystal Structure of Deph


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 Deph within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:26.3
occ:1.00
N A:HIS133 3.1 22.8 1.0
N A:CYS134 3.1 24.3 1.0
O A:HOH517 3.1 36.0 1.0
C6 A:FAD301 3.6 20.2 1.0
CB A:CYS134 3.6 26.8 1.0
C7 A:FAD301 3.7 20.4 1.0
CB A:PHE132 3.8 22.8 1.0
CA A:HIS133 3.8 24.8 1.0
CD2 A:HIS138 3.8 25.0 1.0
CB A:HIS133 3.8 26.1 1.0
CA A:CYS134 3.9 25.1 1.0
C5X A:FAD301 3.9 20.1 1.0
C A:HIS133 3.9 24.9 1.0
CA A:PHE132 4.1 21.8 1.0
C A:PHE132 4.1 22.5 1.0
C8 A:FAD301 4.1 20.6 1.0
O A:CYS134 4.2 22.7 1.0
CD1 A:PHE132 4.2 24.4 1.0
C7M A:FAD301 4.2 20.6 1.0
C9A A:FAD301 4.3 19.6 1.0
C9 A:FAD301 4.4 20.1 1.0
CB A:CYS137 4.5 24.1 1.0
CG A:PHE132 4.5 23.6 1.0
C A:CYS134 4.5 23.5 1.0
N5 A:FAD301 4.5 19.8 1.0
NE2 A:HIS138 4.6 25.6 1.0
CG A:HIS138 4.8 24.7 1.0
SG A:CYS137 4.9 25.5 1.0
C8M A:FAD301 4.9 21.4 1.0

Chlorine binding site 3 out of 6 in 4nte

Go back to Chlorine Binding Sites List in 4nte
Chlorine binding site 3 out of 6 in the Crystal Structure of Deph


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 Deph within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:45.9
occ:1.00
O A:ARG251 2.8 31.1 1.0
O A:ALA240 2.9 29.9 1.0
N A:ALA240 3.0 30.3 1.0
N A:SER259 3.0 29.1 1.0
CB A:THR258 3.4 28.1 1.0
OG A:SER259 3.5 29.7 1.0
CA A:ALA240 3.6 30.7 1.0
CB A:ARG251 3.6 37.5 1.0
CB A:ALA240 3.6 31.0 1.0
CA A:THR258 3.6 28.0 1.0
C A:ALA240 3.6 31.2 1.0
C A:ARG251 3.6 32.5 1.0
C A:CYS239 3.6 30.1 1.0
N A:ARG251 3.7 32.5 1.0
CB A:SER259 3.7 30.2 1.0
C A:THR258 3.8 28.6 1.0
CA A:ARG251 3.8 34.0 1.0
CB A:CYS239 3.9 29.6 1.0
CG1 A:VAL250 3.9 30.5 1.0
CA A:CYS239 3.9 29.9 1.0
CA A:SER259 4.0 30.0 1.0
CG2 A:THR258 4.2 27.6 1.0
OG1 A:THR258 4.4 28.5 1.0
C A:VAL250 4.5 31.0 1.0
O A:CYS239 4.6 30.6 1.0
N A:THR252 4.8 31.3 1.0
CG A:ARG251 4.9 41.1 1.0
O A:HOH511 4.9 32.6 1.0
N A:ILE241 4.9 32.4 1.0
O A:THR258 5.0 28.3 1.0
CA A:VAL250 5.0 30.4 1.0
SG A:CYS239 5.0 29.8 1.0

Chlorine binding site 4 out of 6 in 4nte

Go back to Chlorine Binding Sites List in 4nte
Chlorine binding site 4 out of 6 in the Crystal Structure of Deph


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 Deph within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl306

b:40.3
occ:1.00
O B:MET4 2.9 24.3 1.0
NH1 B:ARG103 2.9 27.8 1.0
CD B:ARG103 3.4 25.8 1.0
C B:MET4 3.6 25.8 1.0
N B:MET4 3.8 26.9 1.0
CB B:PRO3 3.9 27.3 1.0
CZ B:ARG103 4.0 27.7 1.0
NE B:ARG103 4.1 27.0 1.0
N B:LEU5 4.3 24.4 1.0
CA B:MET4 4.4 27.6 1.0
C B:PRO3 4.4 26.9 1.0
CB B:LEU5 4.4 25.0 1.0
CA B:PRO3 4.5 26.9 1.0
CB B:ARG103 4.5 23.1 1.0
CG B:ARG103 4.6 24.2 1.0
CA B:LEU5 4.6 24.3 1.0
O B:HOH420 4.8 24.3 1.0

Chlorine binding site 5 out of 6 in 4nte

Go back to Chlorine Binding Sites List in 4nte
Chlorine binding site 5 out of 6 in the Crystal Structure of Deph


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 Deph within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl307

b:34.6
occ:1.00
N B:HIS133 3.1 28.6 1.0
N B:CYS134 3.1 30.8 1.0
O B:HOH571 3.2 44.3 1.0
CB B:CYS134 3.6 33.1 1.0
C7 B:FAD301 3.6 23.4 1.0
CB B:HIS133 3.6 32.9 1.0
C6 B:FAD301 3.7 23.2 1.0
CA B:HIS133 3.7 30.5 1.0
CD2 B:HIS138 3.7 38.0 1.0
C8 B:FAD301 3.9 23.4 1.0
C5X B:FAD301 3.9 22.5 1.0
C B:HIS133 3.9 30.6 1.0
CA B:CYS134 3.9 32.1 1.0
CB B:PHE132 3.9 27.9 1.0
C9 B:FAD301 4.1 22.9 1.0
C B:PHE132 4.1 27.8 1.0
C9A B:FAD301 4.1 22.4 1.0
CA B:PHE132 4.2 27.6 1.0
C7M B:FAD301 4.2 24.1 1.0
O B:CYS134 4.2 29.8 1.0
NE2 B:HIS138 4.3 39.6 1.0
CB B:CYS137 4.5 30.4 1.0
CD1 B:PHE132 4.5 28.7 1.0
N5 B:FAD301 4.6 22.0 1.0
C B:CYS134 4.6 30.5 1.0
C8M B:FAD301 4.6 24.1 1.0
CG B:PHE132 4.7 28.3 1.0
SG B:CYS137 4.9 31.1 1.0
CG B:HIS133 4.9 35.7 1.0
CG B:HIS138 4.9 36.4 1.0
N10 B:FAD301 5.0 21.5 1.0

Chlorine binding site 6 out of 6 in 4nte

Go back to Chlorine Binding Sites List in 4nte
Chlorine binding site 6 out of 6 in the Crystal Structure of Deph


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 Deph within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl308

b:62.9
occ:1.00
O A:HOH465 2.9 31.9 1.0
O B:HOH432 3.0 27.9 1.0
NH1 B:ARG29 3.4 26.1 1.0
CZ B:ARG29 3.5 26.4 1.0
NE B:ARG29 3.7 26.2 1.0
NH2 B:ARG29 4.0 27.2 1.0
CD B:ARG29 4.0 24.4 1.0
O B:HOH497 4.5 32.4 1.0
OD1 B:ASP7 4.6 22.9 1.0
O A:HOH472 4.9 36.3 1.0
OE2 A:GLU165 5.0 24.1 1.0
OD2 B:ASP7 5.0 22.2 1.0

Reference:

D.H.Scharf, M.Groll, A.Habel, T.Heinekamp, C.Hertweck, A.A.Brakhage, E.M.Huber. Flavoenzyme-Catalyzed Formation of Disulfide Bonds in Natural Products Angew.Chem.Int.Ed.Engl. V. 53 2221 2014.
ISSN: ISSN 1433-7851
PubMed: 24446392
DOI: 10.1002/ANIE.201309302
Page generated: Fri Jul 11 19:44:00 2025

Last articles

Cu in 4WKX
Cu in 4X27
Cu in 4WZ9
Cu in 4W9Z
Cu in 4W7R
Cu in 4WF5
Cu in 4WBR
Cu in 4W7F
Cu in 4W7D
Cu in 4W7E
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy