Chlorine in PDB 6vnd: Quaternary Complex of Human Dihydroorotate Dehydrogenase (Dhodh) with Flavin Mononucleotide (Fmn), Orotic Acid and Ag-636

Enzymatic activity of Quaternary Complex of Human Dihydroorotate Dehydrogenase (Dhodh) with Flavin Mononucleotide (Fmn), Orotic Acid and Ag-636

All present enzymatic activity of Quaternary Complex of Human Dihydroorotate Dehydrogenase (Dhodh) with Flavin Mononucleotide (Fmn), Orotic Acid and Ag-636:
1.3.5.2;

Protein crystallography data

The structure of Quaternary Complex of Human Dihydroorotate Dehydrogenase (Dhodh) with Flavin Mononucleotide (Fmn), Orotic Acid and Ag-636, PDB code: 6vnd was solved by A.Padyana, L.Jin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.78 / 1.97
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.526, 90.526, 123.761, 90.00, 90.00, 120.00
R / Rfree (%) 15.5 / 19

Other elements in 6vnd:

The structure of Quaternary Complex of Human Dihydroorotate Dehydrogenase (Dhodh) with Flavin Mononucleotide (Fmn), Orotic Acid and Ag-636 also contains other interesting chemical elements:

Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Quaternary Complex of Human Dihydroorotate Dehydrogenase (Dhodh) with Flavin Mononucleotide (Fmn), Orotic Acid and Ag-636 (pdb code 6vnd). 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 Quaternary Complex of Human Dihydroorotate Dehydrogenase (Dhodh) with Flavin Mononucleotide (Fmn), Orotic Acid and Ag-636, PDB code: 6vnd:

Chlorine binding site 1 out of 1 in 6vnd

Go back to Chlorine Binding Sites List in 6vnd
Chlorine binding site 1 out of 1 in the Quaternary Complex of Human Dihydroorotate Dehydrogenase (Dhodh) with Flavin Mononucleotide (Fmn), Orotic Acid and Ag-636


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Quaternary Complex of Human Dihydroorotate Dehydrogenase (Dhodh) with Flavin Mononucleotide (Fmn), Orotic Acid and Ag-636 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:53.7
occ:1.00
 O A:HOH521 3.0 38.3 1.0
CB A:PRO203 3.7 28.8 1.0
NE2 A:GLN164 3.8 62.5 1.0
CE1 A:HIS247 4.0 47.1 1.0
ND1 A:HIS247 4.0 45.8 1.0
O A:PRO203 4.5 31.9 1.0
OE1 A:GLN164 4.6 47.7 1.0
CG A:PRO203 4.6 30.0 1.0
CD A:GLN164 4.6 60.3 1.0
NE2 A:HIS247 4.7 39.5 1.0
CD2 A:LEU204 4.8 33.7 1.0
CG A:HIS247 4.8 47.5 1.0
C A:PRO203 4.8 30.0 1.0
O A:HOH554 4.9 33.6 1.0
CG A:LEU204 4.9 35.1 1.0
CA A:PRO203 4.9 32.1 1.0

Reference:

G.Mcdonald, V.Chubukov, J.Coco, K.Truskowski, R.Narayanaswamy, S.Choe, M.Steadman, E.Artin, A.K.Padyana, L.Jin, S.Ronseaux, C.Locuson, Z.P.Fan, T.Erdmann, A.Mann, S.Hayes, M.Fletcher, K.Nellore, S.S.Rao, H.Subramanya, S.R.Kunnam, S.K.Panigrahi, T.Anthony, S.Gopinath, Z.Sui, N.Nagaraja, L.Dang, G.Lenz, J.Hurov, S.A.Biller, J.Murtie, K.M.Marks, D.B.Ulanet. Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed By Ag-636, A Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase. Mol.Cancer Ther. 2020.
ISSN: ESSN 1538-8514
PubMed: 33082276
DOI: 10.1158/1535-7163.MCT-20-0550
Page generated: Sat Dec 12 14:22:54 2020

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