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Chlorine in PDB 4at2: The Crystal Structure of 3-Ketosteroid-DELTA4-(5ALPHA)- Dehydrogenase From Rhodococcus Jostii RHA1 in Complex with 4-Androstene-3,17- Dione

Enzymatic activity of The Crystal Structure of 3-Ketosteroid-DELTA4-(5ALPHA)- Dehydrogenase From Rhodococcus Jostii RHA1 in Complex with 4-Androstene-3,17- Dione

All present enzymatic activity of The Crystal Structure of 3-Ketosteroid-DELTA4-(5ALPHA)- Dehydrogenase From Rhodococcus Jostii RHA1 in Complex with 4-Androstene-3,17- Dione:
1.3.99.5;

Protein crystallography data

The structure of The Crystal Structure of 3-Ketosteroid-DELTA4-(5ALPHA)- Dehydrogenase From Rhodococcus Jostii RHA1 in Complex with 4-Androstene-3,17- Dione, PDB code: 4at2 was solved by N.Van Oosterwijk, J.Knol, L.Dijkhuizen, R.Van Der Geize, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.367 / 1.60
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 99.778, 116.082, 110.151, 90.00, 90.00, 90.00
R / Rfree (%) 15.93 / 18.06

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of 3-Ketosteroid-DELTA4-(5ALPHA)- Dehydrogenase From Rhodococcus Jostii RHA1 in Complex with 4-Androstene-3,17- Dione (pdb code 4at2). 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 The Crystal Structure of 3-Ketosteroid-DELTA4-(5ALPHA)- Dehydrogenase From Rhodococcus Jostii RHA1 in Complex with 4-Androstene-3,17- Dione, PDB code: 4at2:

Chlorine binding site 1 out of 1 in 4at2

Go back to Chlorine Binding Sites List in 4at2
Chlorine binding site 1 out of 1 in the The Crystal Structure of 3-Ketosteroid-DELTA4-(5ALPHA)- Dehydrogenase From Rhodococcus Jostii RHA1 in Complex with 4-Androstene-3,17- Dione


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of 3-Ketosteroid-DELTA4-(5ALPHA)- Dehydrogenase From Rhodococcus Jostii RHA1 in Complex with 4-Androstene-3,17- Dione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1491

b:18.2
occ:1.00
 O A:HOH2618 3.0 11.6 1.0
O A:HOH2408 3.1 24.0 1.0
N A:ALA264 3.2 20.4 1.0
C9 A:FAD1492 3.7 12.4 1.0
CA A:ALA263 3.7 19.8 1.0
CB A:ALA263 3.8 19.4 1.0
CB A:ALA59 3.9 15.0 1.0
C8M A:FAD1492 3.9 12.5 1.0
CB A:ALA264 3.9 20.5 1.0
C A:ALA263 4.0 20.3 1.0
C3' A:FAD1492 4.0 10.5 1.0
C1' A:FAD1492 4.1 11.2 1.0
O2' A:FAD1492 4.1 12.0 1.0
CA A:ALA264 4.2 21.0 1.0
C8 A:FAD1492 4.3 12.8 1.0
O3' A:FAD1492 4.3 10.1 1.0
O A:HOH2103 4.3 19.3 1.0
C2' A:FAD1492 4.3 11.1 1.0
CD2 A:PHE427 4.3 11.3 1.0
CG A:PHE427 4.4 11.2 1.0
CE1 A:HIS268 4.4 14.8 1.0
CB A:PHE427 4.7 11.0 1.0
O A:HOH2370 4.7 11.1 1.0
ND1 A:HIS268 4.7 14.5 1.0
CE2 A:PHE427 4.7 11.4 1.0
C9A A:FAD1492 4.7 12.1 1.0
CD1 A:PHE427 4.8 11.2 1.0
N10 A:FAD1492 4.9 11.5 1.0

Reference:

N.Van Oosterwijk, J.Knol, L.Dijkhuizen, R.Van Der Geize, B.W.Dijkstra. Structure and Catalytic Mechanism of 3-Ketosteroid-{Delta}4- (5ALPHA)-Dehydrogenase From Rhodococcus Jostii RHA1 Genome. J.Biol.Chem. V. 287 30975 2012.
ISSN: ISSN 0021-9258
PubMed: 22833669
DOI: 10.1074/JBC.M112.374306
Page generated: Sun Jul 21 09:27:08 2024

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