MolNFT v1 · #161476 · protein

Structure of human mcl-1 in complex with indole acid inhibitor

6QFQ · Induced myeloid leukemia cell differentiation protein mcl- 1: “Structure of human mcl-1 in complex with indole acid inhibitor”. X-ray diffraction, 1 ligand (J3E), 1 pocket (best druggability 0.63). MolNFT v1 #161476 on GenesisL1: 3D…

PDB: 6QFQ
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: J3E
Pockets: 1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Induced myeloid leukemia cell differentiation protein mcl- 1	protein	150	79% helix, 0% strand	Q07820

Ligands and binding sites

J3E · 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid · ligand · 2 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	187	0.63	0.83	18	J3E

Compared structures

6QFQ · Structure of human Mcl-1 in complex with indole acid 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 6QFQ · PDBe 6QFQ · UniProt Q07820

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