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Chlorine in PDB 4wcv: Haloalkane Dehalogenase Dhaa Mutant From Rhodococcus Rhodochrous (T148L+G171Q+A172V+C176G)

Enzymatic activity of Haloalkane Dehalogenase Dhaa Mutant From Rhodococcus Rhodochrous (T148L+G171Q+A172V+C176G)

All present enzymatic activity of Haloalkane Dehalogenase Dhaa Mutant From Rhodococcus Rhodochrous (T148L+G171Q+A172V+C176G):
3.8.1.5;

Protein crystallography data

The structure of Haloalkane Dehalogenase Dhaa Mutant From Rhodococcus Rhodochrous (T148L+G171Q+A172V+C176G), PDB code: 4wcv was solved by T.Holubeva, T.Prudnikova, I.Kuta-Smatanova, P.Rezacova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.42 / 1.69
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 42.585, 44.477, 46.508, 115.47, 98.79, 109.12
R / Rfree (%) 12 / 17.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Haloalkane Dehalogenase Dhaa Mutant From Rhodococcus Rhodochrous (T148L+G171Q+A172V+C176G) (pdb code 4wcv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Haloalkane Dehalogenase Dhaa Mutant From Rhodococcus Rhodochrous (T148L+G171Q+A172V+C176G), PDB code: 4wcv:

Chlorine binding site 1 out of 1 in 4wcv

Go back to Chlorine Binding Sites List in 4wcv
Chlorine binding site 1 out of 1 in the Haloalkane Dehalogenase Dhaa Mutant From Rhodococcus Rhodochrous (T148L+G171Q+A172V+C176G)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Haloalkane Dehalogenase Dhaa Mutant From Rhodococcus Rhodochrous (T148L+G171Q+A172V+C176G) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:4.4
occ:0.50
 O A:HOH1076 2.1 6.8 0.5
O4 A:PGE502 2.6 8.5 0.5
ND2 A:ASN41 3.2 6.5 1.0
NE1 A:TRP107 3.3 5.6 1.0
C6 A:PGE502 3.4 8.5 0.5
N A:PRO206 3.6 5.5 1.0
CD A:PRO206 3.7 5.9 1.0
CZ A:PHE168 3.8 6.3 1.0
CD1 A:TRP107 3.8 5.7 1.0
CA A:PRO206 3.8 5.7 1.0
CB A:ASN41 3.9 5.5 1.0
C A:PHE205 3.9 5.5 1.0
CB A:PHE205 3.9 5.6 1.0
CD1 A:LEU209 3.9 7.9 1.0
CG A:ASN41 4.0 6.1 1.0
CB A:PRO206 4.1 6.8 1.0
CG A:LEU209 4.2 7.0 1.0
O A:PHE205 4.3 5.6 1.0
CE2 A:PHE168 4.4 7.8 1.0
CD2 A:LEU209 4.4 8.6 1.0
CE1 A:PHE168 4.4 6.0 1.0
CG A:PRO206 4.5 7.6 1.0
CE2 A:PHE149 4.6 7.6 1.0
CA A:PHE205 4.6 5.9 1.0
CE2 A:TRP107 4.6 5.5 1.0
C5 A:PGE502 4.7 8.6 0.5
OD2 A:ASP106 4.7 6.7 1.0
OD1 A:ASP106 4.7 10.8 1.0
CG A:PHE205 5.0 5.0 1.0

Reference:

V.Liskova, D.Bednar, T.Prudnikova, P.Rezacova, T.Koudelakova, E.Sebestova, I.Kuta-Smatanova, J.Brezovsky, R.Chaloupkova, J.Damborsky. Balancing the Stability-Activity Trade-Off By Fine-Tuning Dehalogenase Access Tunnels To Be Published.
Page generated: Fri Jul 11 22:29:10 2025

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