Brand  (β version)

PDB ID: 6QGK

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
ACT Acetate ion PoSSuM
J1Q 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 6QGK   PDBj   RCSB PDB   PDBe
Header : APOPTOSIS
Title : Structure of human Bcl-2 in complex with THIQ-phenyl pyrazole compound
Release Data : 2019-06-12
Compound :
mol_id molecule chains synonym
1 Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 A Bcl2-L-1,Apoptosis regulator Bcl-X,Bcl2-L-1,Apoptosis regulator Bcl-X
mutation: H20S, E42A, E44A, L95Q, R106L, E114Q, F124G, R127Y, G128A, R129S, E135A, E165A, P168V, L175A, T178A, E179T, R183D
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: BCL2L1, BCL2L, BCLX
Authors : Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Keywords : APOPTOSIS, BCL2, drug design, small molecule inhibitor
Exp. method : X-RAY DIFFRACTION ( 1.8000 Å )
Citation :

Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.

Murray, J.B.,Davidson, J.,Chen, I.  et al.
(2019)  Acs Omega  4 : 8892 - 8906

PubMed: 31459977
DOI: 10.1021/acsomega.9b00611

Reaction

Chain : A
UniProt : P10415 (BCL2_HUMAN)
Reaction : -
Chain : A
UniProt : Q07817 (B2CL1_HUMAN)
Reaction : -