MolNFT v1 · #159570 · protein

Structure of purf in complex with ppapp

6OTT · Amidophosphoribosyltransferase, purf: “Structure of purf in complex with ppapp”. X-ray diffraction, 2 ligands (N7Y, MG), 11 pockets (best druggability 0.85). MolNFT v1 #159570 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6OTT
Type: protein
Length: 992 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Amidophosphoribosyltransferase, purf
EC: 2.4.2.14
UniProt: P0AG16
Ligands: N7Y, MG
Pockets: 11 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Amidophosphoribosyltransferase, purf (EC 2.4.2.14)	protein	496	34% helix, 23% strand	P0AG16

Ligands and binding sites

N7Y · adenosine 3',5'-bis(trihydrogen diphosphate) · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies

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

Pockets

11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1032	0.85	0.85	100	empty
2	113	0.65	0.89	38	empty
3	74	0.59	0.89	22	empty
4	283	0.58	0.78	26	empty
5	51	0.53	0.89	21	empty

Interfaces

1 interface between chains.

A–B · 2578 Å² buried · 29 hydrogen bonds · protein-protein

Compared structures

6OTT · Structure of PurF in complex with ppApp · the same entry in another collection · chain A against A, TM-score 1.00
P0AG16 · AlphaFold monomer V2.0 prediction for amidophosphoribosyltransferase (P0AG16) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P0AG16
Elsewhere: RCSB PDB 6OTT · PDBe 6OTT · UniProt P0AG16

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