Atomistry » Chlorine » PDB 3qvm-3r3y » 3r3v
Atomistry »
  Chlorine »
    PDB 3qvm-3r3y »
      3r3v »

Chlorine in PDB 3r3v: Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate

Enzymatic activity of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate

All present enzymatic activity of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate:
3.8.1.3;

Protein crystallography data

The structure of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate, PDB code: 3r3v was solved by P.W.Y.Chan, A.F.Yakunin, E.A.Edwards, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.08 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.890, 79.320, 84.960, 90.00, 103.43, 90.00
R / Rfree (%) 18.4 / 22.3

Other elements in 3r3v:

The structure of Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate also contains other interesting chemical elements:

Fluorine (F) 1 atom
Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate (pdb code 3r3v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate, PDB code: 3r3v:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3r3v

Go back to Chlorine Binding Sites List in 3r3v
Chlorine binding site 1 out of 4 in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate


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 the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:19.7
occ:1.00
 O A:HOH477 2.8 18.0 1.0
N A:LEU136 3.1 7.1 1.0
NH1 A:ARG114 3.1 7.4 1.0
O A:LEU136 3.7 8.0 1.0
CA A:ILE135 3.7 7.4 1.0
CB A:LEU136 3.9 9.9 1.0
C A:ILE135 3.9 7.0 1.0
CA A:LEU136 3.9 7.9 1.0
CG A:LEU136 4.1 10.8 1.0
CZ A:ARG114 4.1 6.4 1.0
C A:LEU136 4.2 6.6 1.0
CG2 A:ILE253 4.2 21.1 1.0
CB A:ILE135 4.2 7.4 1.0
NH2 A:ARG114 4.3 8.7 1.0
CA A:ALA254 4.4 20.7 1.0
CB A:ALA254 4.5 20.1 1.0
CZ2 A:TRP156 4.7 14.1 1.0
O A:ASP134 4.7 9.1 1.0
CD1 A:LEU136 4.7 12.6 1.0
CB A:TYR141 4.8 12.2 1.0
CG2 A:ILE135 4.8 6.9 1.0
N A:ALA254 4.9 21.8 1.0
O A:ILE253 4.9 25.4 1.0
N A:ILE135 5.0 7.1 1.0
CD1 A:TYR141 5.0 13.6 1.0
CH2 A:TRP156 5.0 11.7 1.0

Chlorine binding site 2 out of 4 in 3r3v

Go back to Chlorine Binding Sites List in 3r3v
Chlorine binding site 2 out of 4 in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate


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 the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:18.9
occ:1.00
 N A:ASP288 3.2 14.1 1.0
NE2 A:GLN289 3.3 11.0 1.0
N A:GLN289 3.4 12.2 1.0
C A:ALA286 3.4 11.1 1.0
CA A:ALA286 3.5 11.1 1.0
CG A:GLN289 3.6 13.6 1.0
N A:PRO287 3.7 11.3 1.0
CB A:ASP288 3.7 16.8 1.0
O A:ALA286 3.8 10.5 1.0
CA A:ASP288 3.8 15.3 1.0
CD A:PRO287 3.9 13.3 1.0
CB A:ALA286 3.9 12.6 1.0
CD A:GLN289 3.9 10.3 1.0
CB A:GLN289 4.0 12.8 1.0
C A:ASP288 4.1 12.8 1.0
C A:PRO287 4.2 12.1 1.0
CA A:GLN289 4.3 12.6 1.0
CG A:ASP288 4.4 22.7 1.0
CA A:PRO287 4.5 12.8 1.0
OD1 A:ASP288 4.5 31.6 1.0
CG A:PRO287 4.6 13.5 1.0
N A:ALA286 4.8 11.2 1.0
O A:HOH510 4.9 14.3 1.0
O A:GLU285 5.0 10.9 1.0

Chlorine binding site 3 out of 4 in 3r3v

Go back to Chlorine Binding Sites List in 3r3v
Chlorine binding site 3 out of 4 in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate


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 the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:22.1
occ:0.50
 CZ B:TYR141 1.7 20.2 0.5
CE1 B:TYR141 1.9 17.4 0.5
OH B:TYR141 1.9 22.3 0.5
O B:HOH448 2.6 23.0 1.0
NH1 B:ARG114 2.7 11.9 1.0
CE2 B:TYR141 2.7 20.2 0.5
CD1 B:TYR141 2.9 20.1 0.5
N B:LEU136 3.0 11.5 1.0
CZ B:TYR141 3.3 17.2 0.5
CE1 B:TYR141 3.4 18.5 0.5
CE2 B:TYR141 3.4 14.8 0.5
CA B:ILE135 3.5 10.7 1.0
CD2 B:TYR141 3.5 20.8 0.5
O B:LEU136 3.5 11.9 1.0
CG B:TYR141 3.6 17.1 0.5
CD2 B:TYR141 3.6 17.7 0.5
CD1 B:TYR141 3.6 16.6 0.5
CG B:TYR141 3.7 14.3 0.5
C B:ILE135 3.8 10.7 1.0
CB B:ILE135 3.8 10.4 1.0
OH B:TYR141 3.8 22.0 0.5
CZ B:ARG114 3.8 10.8 1.0
CA B:LEU136 4.0 12.9 1.0
NH2 B:ARG114 4.1 8.7 1.0
C B:LEU136 4.2 11.8 1.0
CB B:LEU136 4.2 14.4 1.0
CG2 B:ILE135 4.3 9.4 1.0
O B:ASP134 4.5 13.9 1.0
CG B:LEU136 4.7 15.3 1.0
N B:ILE135 4.7 10.9 1.0
CB B:TYR141 4.7 14.0 0.5
CZ2 B:TRP156 4.8 7.9 1.0
CB B:TYR141 4.9 15.5 0.5
NE B:ARG114 5.0 10.4 1.0
O B:ILE135 5.0 11.4 1.0

Chlorine binding site 4 out of 4 in 3r3v

Go back to Chlorine Binding Sites List in 3r3v
Chlorine binding site 4 out of 4 in the Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate


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 the Fluoroacetate Dehalogenase RPA1163 - ASP110ASN/Fluoroacetate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl306

b:10.9
occ:0.40
 NE B:ARG114 2.9 10.4 1.0
NH1 B:ARG114 3.2 11.9 1.0
CG B:ASN110 3.4 9.8 1.0
CZ B:ARG114 3.5 10.8 1.0
OD1 B:ASN110 3.5 8.3 1.0
C B:ASN110 3.6 7.4 1.0
CA B:ASN110 3.6 9.5 1.0
ND2 B:ASN110 3.6 11.7 1.0
NH1 B:ARG111 3.7 9.6 1.0
N B:ARG111 3.8 6.8 1.0
CD B:ARG111 3.8 6.7 1.0
CD B:ARG114 4.0 8.6 1.0
CB B:ASN110 4.1 8.8 1.0
O B:ASN110 4.1 6.7 1.0
CZ2 B:TRP156 4.2 7.9 1.0
CG2 B:ILE135 4.2 9.4 1.0
CA B:ARG111 4.4 7.1 1.0
CZ B:ARG111 4.6 7.2 1.0
NE B:ARG111 4.6 6.8 1.0
CG B:ARG114 4.6 9.4 1.0
NE1 B:TRP156 4.7 9.4 1.0
O B:HOH448 4.7 23.0 1.0
OH B:TYR219 4.7 12.7 1.0
NH2 B:ARG114 4.8 8.7 1.0
CG B:ARG111 4.8 7.1 1.0
CE2 B:TRP156 4.8 10.3 1.0
N B:ASN110 5.0 10.2 1.0

Reference:

P.W.Chan, A.F.Yakunin, E.A.Edwards, E.F.Pai. Mapping the Reaction Coordinates of Enzymatic Defluorination. J.Am.Chem.Soc. V. 133 7461 2011.
ISSN: ISSN 0002-7863
PubMed: 21510690
DOI: 10.1021/JA200277D
Page generated: Sun Jul 21 03:23:49 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy