Atomistry » Chlorine » PDB 4k2a-4kb9 » 4k2a
Atomistry »
  Chlorine »
    PDB 4k2a-4kb9 »
      4k2a »

Chlorine in PDB 4k2a: Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94

Enzymatic activity of Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94

All present enzymatic activity of Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94:
3.8.1.5;

Protein crystallography data

The structure of Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94, PDB code: 4k2a was solved by T.Prudnikova, R.Chaloupkova, P.Rezacova, T.Mozga, T.Koudelakova, Y.Sato, M.Kuty, Y.Nagata, J.Damborsky, I.Kuta Smatanova, Structure 2 Functionproject (S2F), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.70 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.702, 121.888, 161.992, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 20.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94 (pdb code 4k2a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94, PDB code: 4k2a:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4k2a

Go back to Chlorine Binding Sites List in 4k2a
Chlorine binding site 1 out of 8 in the Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94


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 Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:18.2
occ:1.00
 NE1 A:TRP104 3.1 17.2 1.0
O A:HOH746 3.1 38.5 1.0
ND2 A:ASN38 3.4 18.4 1.0
N A:PRO205 3.5 18.1 1.0
CD1 A:TRP104 3.5 17.1 1.0
CA A:PRO205 3.6 18.3 1.0
CZ A:PHE167 3.6 19.0 1.0
CD A:PRO205 3.7 18.2 1.0
CE2 A:PHE167 3.8 19.0 1.0
C A:LEU204 3.8 18.0 1.0
CB A:PRO205 3.9 18.6 1.0
CE2 A:PHE148 4.1 20.3 1.0
CB A:ASN38 4.1 17.7 1.0
CB A:LEU204 4.1 17.6 1.0
O A:LEU204 4.2 18.0 1.0
CG A:ASN38 4.2 18.0 1.0
CE2 A:TRP104 4.3 17.0 1.0
CD1 A:LEU208 4.4 18.1 1.0
CG A:PRO205 4.4 18.7 1.0
CG A:LEU208 4.4 17.6 1.0
CD2 A:LEU208 4.5 17.3 1.0
CA A:LEU204 4.6 17.9 1.0
CE1 A:PHE167 4.8 19.0 1.0
OD1 A:ASP103 4.9 22.4 1.0
OD2 A:ASP103 4.9 20.6 1.0
CZ A:PHE148 4.9 20.0 1.0
CG A:TRP104 4.9 16.8 1.0
CZ2 A:TRP104 5.0 17.1 1.0
CD2 A:PHE148 5.0 20.4 1.0

Chlorine binding site 2 out of 8 in 4k2a

Go back to Chlorine Binding Sites List in 4k2a
Chlorine binding site 2 out of 8 in the Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94


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 Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:23.2
occ:1.00
 OG1 A:THR40 3.1 16.3 1.0
NE2 A:GLN102 3.1 24.7 1.0
N A:GLY37 3.2 16.0 1.0
NE2 A:GLN274 3.4 19.2 1.0
CA A:HIS36 3.9 15.5 1.0
CD1 A:ILE44 3.9 17.4 1.0
CB A:HIS36 3.9 15.6 1.0
CA A:GLY37 4.0 16.2 1.0
C A:HIS36 4.0 15.7 1.0
CG2 A:THR40 4.1 16.9 1.0
CB A:THR40 4.1 16.7 1.0
CG2 A:ILE44 4.2 16.7 1.0
CD A:GLN102 4.2 23.8 1.0
CB A:GLN102 4.2 20.8 1.0
CD1 A:TYR272 4.2 21.3 1.0
CD A:GLN274 4.3 19.1 1.0
O A:GLN102 4.4 19.9 1.0
OE1 A:GLN274 4.4 19.6 1.0
CG A:GLN102 4.4 22.4 1.0
C A:GLY37 4.5 16.5 1.0
CE1 A:TYR272 4.5 21.2 1.0
O A:GLY37 4.7 16.6 1.0
CG1 A:ILE44 4.8 17.3 1.0
C A:GLN102 4.8 19.6 1.0
CB A:ASP103 4.9 20.2 1.0
CB A:ILE44 4.9 17.0 1.0

Chlorine binding site 3 out of 8 in 4k2a

Go back to Chlorine Binding Sites List in 4k2a
Chlorine binding site 3 out of 8 in the Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94


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 Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:16.5
occ:1.00
 NE1 B:TRP104 3.2 16.9 1.0
ND2 B:ASN38 3.4 17.7 1.0
N B:PRO205 3.5 17.9 1.0
CZ B:PHE167 3.5 23.7 1.0
CD B:PRO205 3.6 18.0 1.0
CA B:PRO205 3.6 17.9 1.0
CE2 B:PHE167 3.7 23.5 1.0
CD1 B:TRP104 3.7 16.7 1.0
C B:LEU204 3.8 18.1 1.0
CB B:PRO205 3.9 18.0 1.0
CE2 B:PHE148 4.0 20.9 1.0
O B:LEU204 4.1 17.7 1.0
CB B:ASN38 4.1 17.1 1.0
CB B:LEU204 4.2 18.1 1.0
CG B:ASN38 4.2 17.3 1.0
CG B:PRO205 4.3 18.2 1.0
CD1 B:LEU208 4.3 16.2 1.0
CE2 B:TRP104 4.4 16.8 1.0
CG B:LEU208 4.5 16.1 1.0
CA B:LEU204 4.6 18.6 1.0
CD2 B:LEU208 4.7 15.9 1.0
CE1 B:PHE167 4.7 22.6 1.0
CZ B:PHE148 4.7 21.3 1.0
CD2 B:PHE167 4.9 22.5 1.0
CD2 B:PHE148 4.9 20.8 1.0
OD2 B:ASP103 5.0 18.6 1.0
C B:PRO205 5.0 18.0 1.0

Chlorine binding site 4 out of 8 in 4k2a

Go back to Chlorine Binding Sites List in 4k2a
Chlorine binding site 4 out of 8 in the Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94


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 Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:23.9
occ:1.00
 OG1 B:THR40 3.1 16.3 1.0
NE2 B:GLN102 3.2 21.9 1.0
N B:GLY37 3.2 16.0 1.0
NE2 B:GLN274 3.4 17.4 1.0
CA B:HIS36 3.9 15.9 1.0
CB B:HIS36 4.0 16.0 1.0
C B:HIS36 4.0 15.9 1.0
CD1 B:TYR272 4.0 20.0 1.0
CD1 B:ILE44 4.0 16.7 1.0
CA B:GLY37 4.1 16.1 1.0
CG2 B:THR40 4.1 16.8 1.0
CB B:THR40 4.1 16.5 1.0
CG2 B:ILE44 4.1 16.2 1.0
CB B:GLN102 4.2 18.7 1.0
CD B:GLN102 4.2 20.9 1.0
CE1 B:TYR272 4.3 19.8 1.0
CD B:GLN274 4.3 17.9 1.0
CG B:GLN102 4.4 19.8 1.0
OE1 B:GLN274 4.4 18.0 1.0
C B:GLY37 4.4 16.3 1.0
O B:GLY37 4.5 16.2 1.0
O B:GLN102 4.6 17.9 1.0
CB B:ASP103 4.7 18.4 1.0
CG1 B:ILE44 4.9 16.6 1.0
CB B:ILE44 4.9 16.5 1.0
C B:GLN102 4.9 17.8 1.0

Chlorine binding site 5 out of 8 in 4k2a

Go back to Chlorine Binding Sites List in 4k2a
Chlorine binding site 5 out of 8 in the Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94


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 Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:17.2
occ:1.00
 O C:HOH724 2.9 34.0 1.0
NE1 C:TRP104 3.2 17.1 1.0
ND2 C:ASN38 3.4 15.6 1.0
N C:PRO205 3.4 17.4 1.0
CD C:PRO205 3.6 17.2 1.0
CA C:PRO205 3.6 17.5 1.0
CZ C:PHE167 3.6 18.3 1.0
CD1 C:TRP104 3.7 17.0 1.0
C C:LEU204 3.8 17.3 1.0
CE2 C:PHE167 3.8 17.8 1.0
CB C:PRO205 3.9 17.5 1.0
CB C:LEU204 4.1 17.3 1.0
CE2 C:PHE148 4.1 19.8 1.0
O C:LEU204 4.1 17.2 1.0
CB C:ASN38 4.2 15.4 1.0
CG C:PRO205 4.2 17.6 1.0
CG C:ASN38 4.3 15.5 1.0
CD1 C:LEU208 4.5 16.8 1.0
CE2 C:TRP104 4.5 17.4 1.0
CA C:LEU204 4.5 17.5 1.0
CG C:LEU208 4.6 16.9 1.0
CD2 C:LEU208 4.7 16.5 1.0
O C:HOH725 4.7 32.6 1.0
CE1 C:PHE167 4.8 18.6 1.0
CD2 C:PHE148 4.8 19.6 1.0
OD2 C:ASP103 4.9 18.6 1.0

Chlorine binding site 6 out of 8 in 4k2a

Go back to Chlorine Binding Sites List in 4k2a
Chlorine binding site 6 out of 8 in the Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94


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 Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:23.3
occ:1.00
 OG1 C:THR40 3.1 14.8 1.0
NE2 C:GLN102 3.1 18.8 1.0
N C:GLY37 3.2 15.0 1.0
NE2 C:GLN274 3.5 16.5 1.0
CA C:HIS36 3.8 15.2 1.0
CB C:HIS36 3.9 15.3 1.0
C C:HIS36 4.0 15.2 1.0
CD1 C:ILE44 4.0 14.9 1.0
CG2 C:THR40 4.0 15.0 1.0
CA C:GLY37 4.1 15.1 1.0
CB C:THR40 4.1 15.0 1.0
CD1 C:TYR272 4.1 18.6 1.0
CD C:GLN102 4.2 18.7 1.0
CG2 C:ILE44 4.2 14.8 1.0
CB C:GLN102 4.2 17.4 1.0
CE1 C:TYR272 4.3 18.6 1.0
CD C:GLN274 4.4 16.5 1.0
CG C:GLN102 4.4 18.0 1.0
OE1 C:GLN274 4.4 16.5 1.0
O C:GLN102 4.5 16.9 1.0
C C:GLY37 4.5 15.2 1.0
O C:GLY37 4.6 15.2 1.0
CB C:ASP103 4.7 18.2 1.0
CG1 C:ILE44 4.8 14.9 1.0
C C:GLN102 4.9 17.1 1.0
CB C:ILE44 4.9 14.9 1.0

Chlorine binding site 7 out of 8 in 4k2a

Go back to Chlorine Binding Sites List in 4k2a
Chlorine binding site 7 out of 8 in the Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94


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 Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:25.5
occ:1.00
 NE1 D:TRP104 3.1 22.7 1.0
O D:HOH742 3.1 33.5 1.0
N D:PRO205 3.5 23.4 1.0
ND2 D:ASN38 3.5 21.2 1.0
CD D:PRO205 3.6 23.3 1.0
CD1 D:TRP104 3.6 22.6 1.0
CZ D:PHE167 3.6 23.6 1.0
CA D:PRO205 3.6 23.9 1.0
C D:LEU204 3.7 23.9 1.0
CE2 D:PHE167 3.8 23.5 1.0
CE2 D:PHE148 4.0 27.2 1.0
CB D:LEU204 4.0 23.0 1.0
O D:LEU204 4.0 24.0 1.0
CB D:PRO205 4.1 24.4 1.0
CB D:ASN38 4.1 20.4 1.0
CG D:PRO205 4.3 24.1 1.0
CG D:ASN38 4.3 20.8 1.0
CD1 D:LEU208 4.3 24.4 1.0
CE2 D:TRP104 4.3 23.2 1.0
CA D:LEU204 4.5 23.3 1.0
CG D:LEU208 4.5 24.6 1.0
CD2 D:LEU208 4.7 23.9 1.0
CD2 D:PHE148 4.8 27.2 1.0
CE1 D:PHE167 4.8 24.2 1.0
CZ D:PHE148 4.9 27.8 1.0
OD2 D:ASP103 4.9 22.4 1.0
CZ2 D:TRP104 4.9 23.8 1.0
CG D:TRP104 5.0 22.4 1.0

Chlorine binding site 8 out of 8 in 4k2a

Go back to Chlorine Binding Sites List in 4k2a
Chlorine binding site 8 out of 8 in the Crystal Structure of Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94


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 Haloalkane Dehalogenase Dbea From Bradyrhizobium Elkani USDA94 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl502

b:25.8
occ:1.00
 OG1 D:THR40 2.9 17.5 1.0
N D:GLY37 3.1 19.0 1.0
NE2 D:GLN102 3.2 22.8 1.0
NE2 D:GLN274 3.6 20.7 1.0
CA D:HIS36 4.0 18.3 1.0
CA D:GLY37 4.0 19.2 1.0
CB D:THR40 4.0 18.0 1.0
C D:HIS36 4.0 18.7 1.0
CG2 D:THR40 4.0 18.5 1.0
CD1 D:TYR272 4.0 25.7 1.0
CD1 D:ILE44 4.0 18.4 1.0
CB D:HIS36 4.1 18.2 1.0
CG2 D:ILE44 4.2 17.4 1.0
CD D:GLN102 4.2 22.2 1.0
CE1 D:TYR272 4.3 25.7 1.0
CB D:GLN102 4.4 20.3 1.0
C D:GLY37 4.4 19.5 1.0
CG D:GLN102 4.4 21.2 1.0
O D:GLN102 4.5 19.8 1.0
CD D:GLN274 4.5 20.5 1.0
OE1 D:GLN274 4.5 20.6 1.0
O D:GLY37 4.6 19.2 1.0
CB D:ASP103 4.8 22.2 1.0
CG1 D:ILE44 4.8 18.1 1.0
C D:GLN102 4.9 20.3 1.0
CB D:ILE44 4.9 17.6 1.0

Reference:

R.Chaloupkova, T.Prudnikova, P.Rezacova, Z.Prokop, T.Koudelakova, L.Daniel, J.Brezovsky, W.Ikeda-Ohtsubo, Y.Sato, M.Kuty, Y.Nagata, I.Kuta Smatanova, J.Damborsky. Structural and Functional Analysis of A Novel Haloalkane Dehalogenase with Two Halide-Binding Sites. Acta Crystallogr.,Sect.D V. 70 1884 2014.
ISSN: ISSN 0907-4449
PubMed: 25004965
DOI: 10.1107/S1399004714009018
Page generated: Sun Jul 21 17:54:58 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