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Chlorine in PDB 3uzz: Crystal Structure of 5BETA-Reductase (AKR1D1) E120H Mutant in Complex with Nadp+ and DELTA4-Androstenedione

Enzymatic activity of Crystal Structure of 5BETA-Reductase (AKR1D1) E120H Mutant in Complex with Nadp+ and DELTA4-Androstenedione

All present enzymatic activity of Crystal Structure of 5BETA-Reductase (AKR1D1) E120H Mutant in Complex with Nadp+ and DELTA4-Androstenedione:
1.3.1.3;

Protein crystallography data

The structure of Crystal Structure of 5BETA-Reductase (AKR1D1) E120H Mutant in Complex with Nadp+ and DELTA4-Androstenedione, PDB code: 3uzz was solved by M.Chen, D.W.Christianson, T.M.Penning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.70 / 1.82
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.046, 110.088, 129.619, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 24.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 5BETA-Reductase (AKR1D1) E120H Mutant in Complex with Nadp+ and DELTA4-Androstenedione (pdb code 3uzz). 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 Crystal Structure of 5BETA-Reductase (AKR1D1) E120H Mutant in Complex with Nadp+ and DELTA4-Androstenedione, PDB code: 3uzz:

Chlorine binding site 1 out of 1 in 3uzz

Go back to Chlorine Binding Sites List in 3uzz
Chlorine binding site 1 out of 1 in the Crystal Structure of 5BETA-Reductase (AKR1D1) E120H Mutant in Complex with Nadp+ and DELTA4-Androstenedione


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 5BETA-Reductase (AKR1D1) E120H Mutant in Complex with Nadp+ and DELTA4-Androstenedione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:22.1
occ:1.00
 O A:HOH1065 2.9 18.7 1.0
O A:HOH1011 3.0 15.3 1.0
N A:TRP89 3.3 13.9 1.0
O A:HOH1013 3.3 12.4 1.0
NH2 A:ARG104 3.5 18.5 1.0
O A:LYS87 3.6 10.3 1.0
CB A:TRP89 3.6 18.1 1.0
CG2 A:THR101 3.6 12.1 1.0
CA A:TRP89 4.1 17.6 1.0
O A:HOH1022 4.1 15.1 1.0
OD1 A:ASN92 4.2 28.6 1.0
CA A:LEU88 4.2 13.9 1.0
C A:LEU88 4.2 12.6 1.0
CG2 A:ILE57 4.3 13.4 1.0
CG A:ASN92 4.3 18.2 1.0
CB A:TYR56 4.4 11.2 1.0
ND2 A:ASN92 4.5 23.5 1.0
C A:LYS87 4.6 10.5 1.0
OH A:TYR117 4.7 14.1 1.0
CD2 A:TYR56 4.8 13.2 1.0
CZ A:ARG104 4.8 16.7 1.0
CB A:ASN92 4.8 18.2 1.0
N A:LEU88 4.9 10.6 1.0
CG A:TRP89 5.0 26.2 1.0

Reference:

M.Chen, J.E.Drury, D.W.Christianson, T.M.Penning. Conversion of Human Steroid 5BETA-Reductase (AKR1D1) Into 3β-Hydroxysteroid Dehydrogenase By Single Point Mutation E120H: Example of Perfect Enzyme Engineering. J.Biol.Chem. V. 287 16609 2012.
ISSN: ISSN 0021-9258
PubMed: 22437839
DOI: 10.1074/JBC.M111.338780
Page generated: Sun Jul 21 06:38:56 2024

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