Brand  (β version)

PDB ID: 6QGD

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
J1N 2-[(6-ethyl-5-phenyl-thieno[2,3-D]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid PoSSuM
NA Sodium ion PoSSuM
GLC Alpha-D-glucopyranose PoSSuM
: Polysaccharide
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 6QGD   PDBj   RCSB PDB   PDBe
Header : APOPTOSIS
Title : Structure of human Mcl-1 in complex with thienopyrimidine inhibitor
Release Data : 2019-06-12
Compound :
mol_id molecule chains synonym
1 Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1 A MBP,MMBP,Maltodextrin-binding protein,Bcl-2-like protein 3,Bcl2-L-3,Bcl-2-related protein EAT/mcl1,mcl1/EAT
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21  (taxid:511693)
gene: MCL1, BCL2L3
expression_system_variant: pLysS
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, MCL1, MBP, 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 : P0AEY0 (MALE_ECO57)
Reaction : -
Chain : A
UniProt : Q07820 (MCL1_HUMAN)
Reaction : -