MolNFT v1 · #78971 · protein

Crystal structure of BCL-xl bound to BM501

3SPF · BCL-2-like protein 1: “Crystal structure of BCL-xl bound to BM501”. X-ray diffraction, 1 ligand (B50), 3 pockets (best druggability 0.39). MolNFT v1 #78971 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3SPF
Type: protein
Length: 142 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: BCL-2-like protein 1
UniProt: Q07817
Ligands: B50
Pockets: 3 · best druggability 0.39

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	BCL-2-like protein 1	protein	142	78% helix, 0% strand	Q07817

Ligands and binding sites

B50 · 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide · ligand · chains A
GOL · Glycerol · additive · 4 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	96	0.39	0.75	13	B50
2	59	0.35	0.78	17	empty
3	50	0.27	0.73	12	GOL

Compared structures

3SPF · Crystal Structure of Bcl-xL bound to BM501 · the same entry in another collection · chain A against A, TM-score 1.00
Q07817 · AlphaFold monomer V2.0 prediction for BCL-2-like protein 1 (Q07817) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q07817
Elsewhere: RCSB PDB 3SPF · PDBe 3SPF · UniProt Q07817

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