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BIMBH3 peptide tetramer

Analyse BIMBH3 peptide tetramer in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6X8O
Type: protein
Length: 104 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: BCL-2-like protein 11
UniProt: O43521
Ligands: NH2, SCN
Pockets: 1 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 85% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	BCL-2-like protein 11	protein	26	85% helix, 0% strand	O43521

Ligands and binding sites

NH2 · Amino group · ion · 4 copies · chains A, B, C, D
SCN · Thiocyanate ion · ion · chains A, D

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	84	0.36	0.76	19	empty

Interfaces

6 interfaces between chains.

B–D · 815 Å² buried · 15 hydrogen bonds · protein-protein
B–C · 712 Å² buried · 14 hydrogen bonds · protein-protein
A–D · 677 Å² buried · 13 hydrogen bonds · protein-protein
A–C · 433 Å² buried · 1 hydrogen bond · protein-protein
A–B · 176 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

6X8O · BimBH3 peptide tetramer · the same entry in another collection · chain D against D, TM-score 1.00
O43521 · AlphaFold monomer V2.0 prediction for BCL-2-like protein 11 (O43521) · a predicted model of the same protein · chain C against A, TM-score 0.73

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 O43521
Elsewhere: RCSB PDB 6X8O · PDBe 6X8O · UniProt O43521

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