MolNFT v1 · #166031 · protein

X-ray co-crystal structure of compound 8 bound to human mcl-1

6UDU · Induced myeloid leukemia cell differentiation protein mcl- 1: “X-ray co-crystal structure of compound 8 bound to human mcl-1”. X-ray diffraction, 1 ligand (Q4Y), 1 pocket (best druggability 0.60). MolNFT v1 #166031 on GenesisL1: 3D…

PDB: 6UDU
Type: protein
Length: 156 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: Q4Y
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 77% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Induced myeloid leukemia cell differentiation protein mcl- 1	protein	156	77% helix, 0% strand	Q07820

Ligands and binding sites

Q4Y · (4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3', 4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-A][1, 8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic 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	145	0.60	0.83	19	Q4Y

Compared structures

6UDU · X-ray co-crystal structure of compound 8 bound to human Mcl-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 6UDU · PDBe 6UDU · UniProt Q07820

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.