MolNFT v1 · #108936 · protein

Structure of MCL1 bound to brd inhibitor ligand 1 at 1.7A

4WMR · Induced myeloid leukemia cell differentiation protein mcl- 1: “Structure of MCL1 bound to brd inhibitor ligand 1 at 1.7A”. X-ray diffraction, 3 ligands (POP, 865, ZN), 1 pocket (best druggability 0.62). MolNFT v1 #108936 on…

PDB: 4WMR
Type: protein
Length: 150 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Induced myeloid leukemia cell differentiation protein mcl- 1
UniProt: Q07820
Ligands: POP, 865, ZN
Pockets: 1 · best druggability 0.62

Structure

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

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

Ligands and binding sites

POP · Pyrophosphate 2- · ligand · 2 copies · chains A
865 · 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid · ligand · chains A
ZN · Zinc ion · metal · 3 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	141	0.62	0.84	17	865

Compared structures

4WMR · STRUCTURE OF MCL1 BOUND TO BRD inhibitor ligand 1 AT 1.7A · 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 4WMR · PDBe 4WMR · UniProt Q07820

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