MolNFT v1 · #125964 · protein

Human NUDT22

5LOR · Nucleoside diphosphate-linked moiety X motif 22: “Human NUDT22”. X-ray diffraction, 1 ligand (UPG), 5 pockets (best druggability 0.79). MolNFT v1 #125964 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5LOR
Type: protein
Length: 581 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nucleoside diphosphate-linked moiety X motif 22
UniProt: Q9BRQ3
Ligands: UPG
Pockets: 5 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nucleoside diphosphate-linked moiety X motif 22	protein	290	37% helix, 26% strand	Q9BRQ3
B	Nucleoside diphosphate-linked moiety X motif 22	protein	291	31% helix, 27% strand	Q9BRQ3

Ligands and binding sites

UPG · Uridine-5'-diphosphate-glucose · ligand · 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	654	0.79	0.84	67	UPG
2	508	0.70	0.80	49	empty
3	80	0.45	0.81	18	empty
4	71	0.34	0.76	12	empty
5	51	0.25	0.73	16	empty

Interfaces

1 interface between chains.

A–B · 690 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

5LOR · human NUDT22 · the same entry in another collection · chain A against A, TM-score 1.00
Q9BRQ3 · AlphaFold monomer V2.0 prediction for uridine diphosphate glucose pyrophosphatase NUDT22… · 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 Q9BRQ3
Elsewhere: RCSB PDB 5LOR · PDBe 5LOR · UniProt Q9BRQ3

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