MolNFT v1 · #162101 · protein

Structure of mcl-1 in complex with compound 13

6QYP · Induced myeloid leukemia cell differentiation protein mcl- 1: “Structure of mcl-1 in complex with compound 13”. X-ray diffraction, 1 ligand (JL5), 1 pocket (best druggability 0.51). MolNFT v1 #162101 on GenesisL1: 3D structure…

PDB: 6QYP
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: JL5
Pockets: 1 · best druggability 0.51

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	151	79% helix, 0% strand	Q07820

Ligands and binding sites

JL5 · (2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid · ligand · 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	109	0.51	0.81	14	JL5

Compared structures

6QYP · Structure of Mcl-1 in complex with compound 13 · 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 6QYP · PDBe 6QYP · UniProt Q07820

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