MolNFT v1 · #75850 · protein

Crystal structure of purk: N5-carboxyaminoimidazole ribonucleotide synthetase

3Q2O · Phosphoribosylaminoimidazole carboxylase, ATPase subunit: “Crystal structure of purk: N5-carboxyaminoimidazole ribonucleotide synthetase”. X-ray diffraction, 1 ligand (MG), 5 pockets (best druggability 0.86). MolNFT v1 #75850 on…

PDB: 3Q2O
Type: protein
Length: 754 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphoribosylaminoimidazole carboxylase, ATPase subunit
EC: 4.1.1.21
UniProt: C3PBM5
Ligands: MG
Pockets: 5 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Phosphoribosylaminoimidazole carboxylase, ATPase subunit (EC 4.1.1.21)	protein	377	34% helix, 27% strand	C3PBM5

Ligands and binding sites

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

5 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	372	0.86	0.95	39	empty
2	990	0.78	0.80	67	MG
3	826	0.74	0.79	55	MG
4	105	0.45	0.78	19	empty
5	85	0.38	0.77	16	empty

Interfaces

1 interface between chains.

A–B · 1645 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

3Q2O · Crystal Structure of purK: N5-carboxyaminoimidazole ribonucleotide synthetase · 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 C3PBM5
Elsewhere: RCSB PDB 3Q2O · PDBe 3Q2O · UniProt C3PBM5

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