MolNFT v1 · #109866 · protein

Crystal structure of a NH(3)-dependent NAD(+) synthetase from pseudomonas aeruginosa

4XFD: “Crystal structure of a NH(3)-dependent NAD(+) synthetase from pseudomonas aeruginosa”. X-ray diffraction, 3 pockets (best druggability 0.60). MolNFT v1 #109866 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4XFD
Type: protein
Length: 262 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NH(3)-dependent NAD(+) synthetase
EC: 6.3.1.5
UniProt: Q9HUP3
Pockets: 3 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NH(3)-dependent NAD(+) synthetase (EC 6.3.1.5)	protein	262	60% helix, 8% strand	Q9HUP3

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	325	0.60	0.78	42	empty
2	118	0.41	0.75	27	empty
3	96	0.35	0.74	18	empty

Compared structures

4XFD · Crystal Structure of a NH(3)-dependent NAD(+) synthetase from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
Q9HUP3 · AlphaFold monomer V2.0 prediction for NH(3)-dependent NAD(+) synthetase (Q9HUP3) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q9HUP3
Elsewhere: RCSB PDB 4XFD · PDBe 4XFD · UniProt Q9HUP3

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