MolNFT v1 · #106827 · protein

Sulfolobus solfataricus adenine phosphoribosyltransferase

4TRB · Purine phosphoribosyltransferase (gpt-1): “Sulfolobus solfataricus adenine phosphoribosyltransferase”. X-ray diffraction, 1 ligand (PO4), 5 pockets (best druggability 0.62). MolNFT v1 #106827 on GenesisL1: 3D structure, binding…

PDB: 4TRB
Type: protein
Length: 418 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Purine phosphoribosyltransferase (gpt-1)
EC: 2.4.2.-
UniProt: Q97W95
Ligands: PO4
Pockets: 5 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Purine phosphoribosyltransferase (gpt-1) (EC 2.4.2.-)	protein	209	38% helix, 26% strand	Q97W95

Ligands and binding sites

PO4 · Phosphate ion · ion · 4 copies · chains A, B

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

Pockets

5 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	367	0.62	0.78	36	PO4
2	384	0.62	0.77	39	PO4
3	50	0.48	0.85	14	empty
4	52	0.42	0.82	15	empty
5	59	0.30	0.75	14	empty

Interfaces

1 interface between chains.

A–B · 1907 Å² buried · 31 hydrogen bonds · protein-protein

Compared structures

4TRB · Sulfolobus solfataricus adenine phosphoribosyltransferase · the same entry in another collection · chain A against A, TM-score 1.00

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 Q97W95
Elsewhere: RCSB PDB 4TRB · PDBe 4TRB · UniProt Q97W95

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