Atomistry » Chlorine » PDB 6vch-6vkc » 6vfz
Atomistry »
  Chlorine »
    PDB 6vch-6vkc »
      6vfz »

Chlorine in PDB 6vfz: Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.

Enzymatic activity of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.

All present enzymatic activity of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.:
1.1.1.42;

Protein crystallography data

The structure of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor., PDB code: 6vfz 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) 42.06 / 1.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.068, 119.797, 130.973, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 20.9

Other elements in 6vfz:

The structure of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. also contains other interesting chemical elements:

Fluorine (F) 12 atoms
Calcium (Ca) 2 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. (pdb code 6vfz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor., PDB code: 6vfz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6vfz

Go back to Chlorine Binding Sites List in 6vfz
Chlorine binding site 1 out of 2 in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.


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 Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:19.5
occ:0.57
 CL1 A:9UO501 0.0 19.5 0.6
C13 A:9UO501 1.1 13.4 0.4
C14 A:9UO501 1.6 13.2 0.4
C15 A:9UO501 1.8 12.5 0.6
C12 A:9UO501 2.4 12.4 0.4
N17 A:9UO501 2.6 11.7 0.6
OD1 A:ASP312 2.7 17.2 1.0
C14 A:9UO501 2.7 13.2 0.6
C15 A:9UO501 2.9 12.7 0.4
CG A:ASP312 3.3 19.0 1.0
C11 A:9UO501 3.4 12.1 0.4
CB A:ASP312 3.5 12.4 1.0
N17 A:9UO501 3.6 11.2 0.4
CA A:ASP312 3.6 8.4 1.0
OH B:TYR311 3.8 13.4 1.0
C11 A:9UO501 3.9 11.8 0.6
C13 A:9UO501 4.0 12.1 0.6
CE2 B:TYR311 4.1 17.8 1.0
NE2 A:GLN316 4.1 22.3 1.0
CD1 A:ILE290 4.2 13.5 1.0
CG1 A:ILE290 4.3 14.5 1.0
CL1 A:9UO501 4.3 15.0 0.4
OD2 A:ASP312 4.3 17.4 1.0
CZ B:TYR311 4.4 16.7 1.0
O A:ASP312 4.4 8.8 1.0
C12 A:9UO501 4.5 12.7 0.6
C A:ASP312 4.5 10.8 1.0
N A:ASP312 4.5 8.1 1.0
CG1 B:VAL315 4.7 22.6 1.0
CD2 A:TYR311 4.7 11.2 1.0
CG2 B:VAL315 4.8 18.7 1.0
CE2 A:TYR311 4.8 9.8 1.0
C10 A:9UO501 4.8 10.3 0.4
CB A:VAL315 5.0 16.2 1.0

Chlorine binding site 2 out of 2 in 6vfz

Go back to Chlorine Binding Sites List in 6vfz
Chlorine binding site 2 out of 2 in the Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Nadph and Ag-881 (Vorasidenib) Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:15.0
occ:0.43
 CL1 A:9UO501 0.0 15.0 0.4
C13 A:9UO501 0.9 12.1 0.6
C14 A:9UO501 1.6 13.2 0.6
C15 A:9UO501 1.8 12.7 0.4
C12 A:9UO501 2.2 12.7 0.6
N17 A:9UO501 2.7 11.2 0.4
C14 A:9UO501 2.8 13.2 0.4
OD1 B:ASP312 2.8 20.0 1.0
C15 A:9UO501 2.9 12.5 0.6
C11 A:9UO501 3.3 11.8 0.6
CG B:ASP312 3.5 23.9 1.0
N17 A:9UO501 3.5 11.7 0.6
CB B:ASP312 3.7 11.3 1.0
OH A:TYR311 3.8 13.6 1.0
CA B:ASP312 3.8 14.7 1.0
C11 A:9UO501 3.9 12.1 0.4
CE2 A:TYR311 4.0 9.8 1.0
CD1 B:ILE290 4.0 13.2 1.0
C13 A:9UO501 4.0 13.4 0.4
CG1 B:ILE290 4.1 16.5 1.0
CL1 A:9UO501 4.3 19.5 0.6
CZ A:TYR311 4.3 15.9 1.0
NE2 B:GLN316 4.3 22.9 1.0
OD2 B:ASP312 4.4 23.5 1.0
CG1 A:VAL315 4.4 18.8 1.0
CG2 A:VAL315 4.5 17.0 1.0
C12 A:9UO501 4.5 12.4 0.4
O B:ASP312 4.6 11.4 1.0
C10 A:9UO501 4.7 10.1 0.6
C B:ASP312 4.7 16.1 1.0
N B:ASP312 4.8 7.6 1.0
CB A:VAL315 4.9 16.2 1.0

Reference:

Z.Konteatis, E.Artin, B.Nicolay, K.Straley, A.K.Padyana, L.Jin, Y.Chen, R.Narayaraswamy, S.Tong, F.Wang, D.Zhou, D.Cui, Z.Cai, Z.Luo, C.Fang, H.Tang, X.Lv, R.Nagaraja, H.Yang, S.M.Su, Z.Sui, L.Dang, K.Yen, J.Popovici-Muller, P.Codega, C.Campos, I.K.Mellinghoff, S.Biller. Vorasidenib (Ag-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 For Treatment of Glioma Acs Med.Chem.Lett. 2020.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.9B00509
Page generated: Mon Jul 29 16:18:44 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy