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Crystal structure of mcl-1 in complex with a bim competitive inhibitor

Analyse Crystal structure of mcl-1 in complex with a bim competitive inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6B4L
Type: protein
Length: 300 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Induced myeloid leukemia cell differentiation protein mcl- 1
UniProt: Q07820
Ligands: CJY
Pockets: 3 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Induced myeloid leukemia cell differentiation protein mcl- 1	protein	150	80% helix, 0% strand	Q07820

Ligands and binding sites

CJY · 3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	167	0.66	0.85	18	CJY
2	163	0.63	0.84	17	CJY
3	408	0.62	0.77	33	empty

Interfaces

1 interface between chains.

A–B · 581 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

6B4L · Crystal structure of MCL-1 in complex with a BIM competitive inhibitor · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q07820
Elsewhere: RCSB PDB 6B4L · PDBe 6B4L · UniProt Q07820

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