MolNFT v1 · #182984 · protein

Structure of mcl-1 complex with compound 1

7NB4 · Induced myeloid leukemia cell differentiation protein mcl- 1: “Structure of mcl-1 complex with compound 1”. X-ray diffraction, 2 ligands (U6Q, MG), 1 pocket (best druggability 0.49). MolNFT v1 #182984 on GenesisL1: 3D structure…

PDB: 7NB4
Type: protein
Length: 151 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: U6Q, MG
Pockets: 1 · best druggability 0.49

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	151	80% helix, 0% strand	Q07820

Ligands and binding sites

U6Q · (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid · ligand · chains A
MG · Magnesium ion · metal
PG6 · 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane · additive · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	105	0.49	0.80	13	U6Q

Compared structures

7NB4 · Structure of Mcl-1 complex with compound 1 · 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 7NB4 · PDBe 7NB4 · UniProt Q07820

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