Chlorine in PDB 7na1: HDM2 in Complex with Compound 2

Enzymatic activity of HDM2 in Complex with Compound 2

All present enzymatic activity of HDM2 in Complex with Compound 2:
2.3.2.27;

Protein crystallography data

The structure of HDM2 in Complex with Compound 2, PDB code: 7na1 was solved by G.Scapin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.349, 39.432, 160.389, 90, 90, 90
R / Rfree (%) 25.5 / 35.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the HDM2 in Complex with Compound 2 (pdb code 7na1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the HDM2 in Complex with Compound 2, PDB code: 7na1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7na1

Go back to Chlorine Binding Sites List in 7na1
Chlorine binding site 1 out of 2 in the HDM2 in Complex with Compound 2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HDM2 in Complex with Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:37.6
occ:1.00
CL24 A:1GI201 0.0 37.6 1.0
C16 A:1GI201 1.7 32.1 1.0
C17 A:1GI201 2.7 29.8 1.0
C15 A:1GI201 2.7 32.4 1.0
CG2 A:ILE99 3.8 34.1 1.0
C18 A:1GI201 3.9 32.1 1.0
C14 A:1GI201 4.0 34.2 1.0
CB A:LEU57 4.0 32.2 1.0
CD1 A:ILE61 4.0 39.3 1.0
CE1 A:PHE91 4.1 31.2 1.0
CD1 A:LEU57 4.1 31.9 1.0
CZ A:PHE91 4.2 32.6 1.0
CE2 A:PHE86 4.2 32.7 1.0
CD2 A:LEU54 4.3 30.9 1.0
CZ A:PHE86 4.3 33.9 1.0
C12 A:1GI201 4.4 33.2 1.0
CG A:LEU57 4.6 33.6 1.0
CD1 A:ILE99 4.8 37.2 1.0
CD1 A:ILE103 4.8 30.9 1.0
CG1 A:ILE99 4.8 37.1 1.0
CB A:ILE99 4.9 36.5 1.0

Chlorine binding site 2 out of 2 in 7na1

Go back to Chlorine Binding Sites List in 7na1
Chlorine binding site 2 out of 2 in the HDM2 in Complex with Compound 2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of HDM2 in Complex with Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:38.5
occ:1.00
CL24 B:1GI201 0.0 38.5 1.0
C16 B:1GI201 1.7 34.1 1.0
C17 B:1GI201 2.7 33.4 1.0
C15 B:1GI201 2.7 32.2 1.0
CG2 B:ILE99 3.6 35.3 1.0
C18 B:1GI201 4.0 32.2 1.0
C14 B:1GI201 4.0 31.3 1.0
CB B:LEU57 4.0 32.5 1.0
CE2 B:PHE86 4.1 31.8 1.0
CZ B:PHE91 4.1 34.0 1.0
CD1 B:ILE61 4.1 31.1 1.0
CZ B:PHE86 4.1 31.0 1.0
CD1 B:LEU57 4.1 31.2 1.0
CE1 B:PHE91 4.2 35.5 1.0
O B:HOH305 4.3 39.9 1.0
C12 B:1GI201 4.5 33.4 1.0
CD2 B:LEU54 4.6 31.5 1.0
CG B:LEU57 4.7 32.4 1.0
CD1 B:ILE103 4.8 34.9 1.0
CB B:ILE99 5.0 37.1 1.0

Reference:

M.H.Reutershan, M.R.Machacek, M.D.Altman, S.Bogen, M.Cai, C.Cammarano, D.Chen, M.Christopher, J.Cryan, P.Daublain, X.Fradera, P.Geda, P.Goldenblatt, A.D.Hill, R.A.Kemper, V.Kutilek, C.Li, M.Martinez, M.Mccoy, L.Nair, W.Pan, C.F.Thompson, G.Scapin, M.Shizuka, M.L.Spatz, D.Steinhuebel, B.Sun, M.E.Voss, X.Wang, L.Yang, T.C.Yeh, I.Dussault, C.G.Marshall, B.W.Trotter. Discovery of Mk-4688 : An Efficient Inhibitor of the HDM2-P53 Protein-Protein Interaction. J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 34714078
DOI: 10.1021/ACS.JMEDCHEM.1C01524
Page generated: Thu Nov 25 08:54:58 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy