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Chlorine in PDB 8svy: Mbp-MCL1 in Complex with Ligand 10

Protein crystallography data

The structure of Mbp-MCL1 in Complex with Ligand 10, PDB code: 8svy was solved by B.R.Miller, P.Shaffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.28 / 1.47
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 99.04, 137.032, 38.715, 90, 90, 90
R / Rfree (%) 17 / 20.6

Other elements in 8svy:

The structure of Mbp-MCL1 in Complex with Ligand 10 also contains other interesting chemical elements:

Fluorine (F) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mbp-MCL1 in Complex with Ligand 10 (pdb code 8svy). 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 Mbp-MCL1 in Complex with Ligand 10, PDB code: 8svy:

Chlorine binding site 1 out of 1 in 8svy

Go back to Chlorine Binding Sites List in 8svy
Chlorine binding site 1 out of 1 in the Mbp-MCL1 in Complex with Ligand 10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mbp-MCL1 in Complex with Ligand 10 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:21.6
occ:1.00
CL41 A:WUC406 0.0 21.6 1.0
C40 A:WUC406 1.7 20.2 1.0
C39 A:WUC406 2.7 19.8 1.0
C42 A:WUC406 2.7 19.9 1.0
C11 A:WUC406 3.0 22.1 1.0
CB A:MET231 3.4 24.4 1.0
O A:ALA227 3.5 23.0 1.0
C12 A:WUC406 3.5 25.6 1.0
CD1 A:PHE228 3.7 18.8 1.0
C13 A:WUC406 3.8 26.7 1.0
C A:ALA227 3.8 21.6 1.0
N9 A:WUC406 3.8 21.9 1.0
CG A:MET231 3.9 25.1 1.0
C38 A:WUC406 3.9 19.0 1.0
O A:HOH721 4.0 43.0 1.0
C43 A:WUC406 4.0 19.5 1.0
N A:PHE228 4.1 20.5 1.0
CE1 A:PHE228 4.1 18.3 1.0
CA A:PHE228 4.1 19.6 1.0
CB A:ALA227 4.2 22.1 1.0
C10 A:WUC406 4.4 20.5 1.0
C7 A:WUC406 4.4 26.3 1.0
CE1 A:PHE270 4.4 18.4 1.0
C37 A:WUC406 4.5 19.1 1.0
CD1 A:PHE270 4.5 16.8 1.0
N8 A:WUC406 4.6 23.5 1.0
CA A:ALA227 4.6 22.5 1.0
C17 A:WUC406 4.6 25.2 1.0
CZ A:PHE270 4.7 19.1 1.0
CG A:PHE228 4.7 18.2 1.0
CE A:MET231 4.8 28.8 1.0
CA A:MET231 4.8 25.3 1.0
CG A:PHE270 4.9 17.0 1.0

Reference:

S.Demin, A.Peschiulli, A.I.Velter, A.Vos, B.De Boeck, B.Miller, F.J.R.Rombouts, T.Reuillon, W.Lento, M.D.Blanco, M.Jouffroy, H.Steyvers, M.Bekkers, C.Altrocchi, B.Pietrak, S.J.Koo, L.Szewczuk, R.Attar, U.Philippar. Macrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of Mcl-1. Acs Med.Chem.Lett. V. 14 955 2023.
ISSN: ISSN 1948-5875
PubMed: 37465311
DOI: 10.1021/ACSMEDCHEMLETT.3C00141
Page generated: Sun Jul 13 14:17:29 2025

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