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Crystal structure of human TRAP1 with biib-021

Analyse Crystal structure of human TRAP1 with biib-021 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4Z1G
Type: protein
Length: 430 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein 75 kda, mitochondrial
UniProt: Q12931
Ligands: 94M
Pockets: 6 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein 75 kda, mitochondrial	protein	430	35% helix, 23% strand	Q12931

Ligands and binding sites

94M · 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl) methyl]-9H-purin-2-amine · ligand · chains A

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	253	0.63	0.81	24	94M
2	198	0.51	0.77	29	empty
3	89	0.35	0.74	17	empty
4	66	0.33	0.76	15	empty
5	69	0.30	0.73	19	empty

Compared structures

4Z1G · Crystal structure of human Trap1 with BIIB-021 · the same entry in another collection · chain A against A, TM-score 1.00
Q12931 · AlphaFold monomer V2.0 prediction for heat shock protein 75 kda, mitochondrial (Q12931) · a predicted model of the same protein · chain A against A, TM-score 0.85

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 Q12931
Elsewhere: RCSB PDB 4Z1G · PDBe 4Z1G · UniProt Q12931

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