MolNFT v1 · #142232 · protein

Crystal structure of cura in complex with NADPH from vibrio vulnificus

5ZXU · NADP-dependent oxidoreductase: “Crystal structure of cura in complex with NADPH from vibrio vulnificus”. X-ray diffraction, 1 ligand (NDP), 4 pockets (best druggability 0.78). MolNFT v1 #142232 on GenesisL1: 3D structure, binding…

PDB: 5ZXU
Type: protein
Length: 337 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NADP-dependent oxidoreductase
Ligands: NDP
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NADP-dependent oxidoreductase	protein	337	32% helix, 24% strand	—

Ligands and binding sites

NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A

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

Pockets

4 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	633	0.78	0.83	61	NDP
2	249	0.59	0.79	40	empty
3	126	0.43	0.75	16	empty
4	97	0.38	0.75	19	empty

Compared structures

5ZXU · Crystal structure of CurA in complex with NADPH from Vibrio vulnificus · 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
Elsewhere: RCSB PDB 5ZXU · PDBe 5ZXU

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