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Crystal structure of A179L:BID BH3 complex

Analyse Crystal structure of A179L:BID BH3 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5UA4
Type: protein
Length: 167 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 5-hl; BH3-interacting domain death agonist
UniProt: D0Q0E8, Q4JHS0
Pockets: 1 · best druggability 0.35

Structure

x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	5-hl	protein	135	74% helix, 0% strand	D0Q0E8
B	BH3-interacting domain death agonist	protein	32	63% helix, 0% strand	Q4JHS0

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	56	0.35	0.78	18	empty

Interfaces

1 interface between chains.

A–B · 873 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5UA4 · Crystal structure of A179L:Bid BH3 complex · the same entry in another collection · chain B against B, TM-score 1.00
Q4JHS0 · AlphaFold monomer V2.0 prediction for BH3-interacting domain death agonist (Q4JHS0) · a predicted model of the same protein · chain B against A, TM-score 0.57

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 D0Q0E8
Every structure of UniProt Q4JHS0
Elsewhere: RCSB PDB 5UA4 · PDBe 5UA4 · UniProt D0Q0E8 · UniProt Q4JHS0

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