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Chlorine in PDB 3kvm: Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with Amino-Benzoic Acid Inhibitor 951 at 2.00A Resolution

Enzymatic activity of Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with Amino-Benzoic Acid Inhibitor 951 at 2.00A Resolution

All present enzymatic activity of Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with Amino-Benzoic Acid Inhibitor 951 at 2.00A Resolution:
1.3.5.2;

Protein crystallography data

The structure of Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with Amino-Benzoic Acid Inhibitor 951 at 2.00A Resolution, PDB code: 3kvm was solved by L.Mclean, Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.31 / 2.00
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.783, 90.783, 122.988, 90.00, 90.00, 120.00
R / Rfree (%) 19.3 / 21.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with Amino-Benzoic Acid Inhibitor 951 at 2.00A Resolution (pdb code 3kvm). 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 Human Dihydroorotate Dehydrogenase (Dhodh) with Amino-Benzoic Acid Inhibitor 951 at 2.00A Resolution, PDB code: 3kvm:

Chlorine binding site 1 out of 1 in 3kvm

Go back to Chlorine Binding Sites List in 3kvm
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with Amino-Benzoic Acid Inhibitor 951 at 2.00A Resolution


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 Human Dihydroorotate Dehydrogenase (Dhodh) with Amino-Benzoic Acid Inhibitor 951 at 2.00A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:9.9
occ:1.00
 CLAP A:951402 0.0 9.9 1.0
CAL A:951402 1.7 23.5 1.0
CAT A:951402 2.7 24.2 1.0
CAD A:951402 2.7 24.3 1.0
OG1 A:THR63 3.0 25.5 1.0
CAF A:951402 3.0 24.9 1.0
CAA A:951402 3.1 25.5 1.0
O A:ALA59 3.7 23.2 1.0
CD1 A:LEU68 3.7 46.0 1.0
CE A:MET111 3.8 27.1 1.0
CAX A:951402 4.0 26.9 1.0
CAR A:951402 4.0 23.8 1.0
CG A:PRO364 4.1 25.8 1.0
CAI A:951402 4.3 25.4 1.0
CB A:THR63 4.3 26.4 1.0
CB A:ALA59 4.3 22.1 1.0
CA A:ALA59 4.3 23.3 1.0
N A:THR63 4.3 27.3 1.0
C A:ALA59 4.4 23.1 1.0
OAC A:951402 4.4 26.4 1.0
CB A:PHE62 4.5 31.6 1.0
CAV A:951402 4.5 27.6 1.0
CA A:THR63 4.5 27.2 1.0
CD A:PRO364 4.8 25.6 1.0
C A:PHE62 5.0 28.8 1.0
CAG A:951402 5.0 25.7 1.0

Reference:

L.R.Mclean, Y.Zhang, W.Degnen, J.Peppard, D.Cabel, C.Zou, J.T.Tsay, A.Subramaniam, R.J.Vaz, Y.Li. Discovery of Novel Inhibitors For Dhodh Via Virtual Screening and X-Ray Crystallographic Structures. Bioorg.Med.Chem.Lett. V. 20 1981 2010.
ISSN: ISSN 0960-894X
PubMed: 20153645
DOI: 10.1016/J.BMCL.2010.01.115
Page generated: Sat Jul 20 22:52:00 2024

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