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TRAP1N-adpnp

Analyse TRAP1N-adpnp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5F5R
Type: protein
Length: 447 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein 75 kda, mitochondrial
UniProt: Q12931
Ligands: ANP, MG
Pockets: 7 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein 75 kda, mitochondrial	protein	225	36% helix, 26% strand	Q12931
B	Heat shock protein 75 kda, mitochondrial	protein	222	37% helix, 26% strand	Q12931

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	234	0.61	0.81	30	ANP, MG
2	241	0.60	0.80	29	ANP, MG
3	264	0.60	0.79	45	empty
4	115	0.38	0.74	19	empty
5	92	0.37	0.75	18	empty

Interfaces

1 interface between chains.

A–B · 624 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

5F5R · TRAP1N-adpnp · 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 B against A, TM-score 0.75

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 5F5R · PDBe 5F5R · UniProt Q12931

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