MolNFT v1 · #165770 · protein

Mcl-1 bound to compound 17

6U64 · Induced myeloid leukemia cell differentiation protein mcl- 1: “Mcl-1 bound to compound 17”. X-ray diffraction, 1 ligand (Q0G), 1 pocket (best druggability 0.52). MolNFT v1 #165770 on GenesisL1: 3D structure, binding sites and…

PDB: 6U64
Type: protein
Length: 143 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: Q0G
Pockets: 1 · best druggability 0.52

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	143	80% helix, 0% strand	Q07820

Ligands and binding sites

Q0G · 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid · ligand · 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	104	0.52	0.82	20	Q0G

Compared structures

6U64 · Mcl-1 bound to compound 17 · 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 6U64 · PDBe 6U64 · UniProt Q07820

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