MolNFT v1 · #142231 · protein

Crystal structure of cura from vibrio vulnificus

5ZXN · NADP-dependent oxidoreductase: “Crystal structure of cura from vibrio vulnificus”. X-ray diffraction, 6 pockets (best druggability 0.80). MolNFT v1 #142231 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5ZXN
Type: protein
Length: 679 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NADP-dependent oxidoreductase
Pockets: 6 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NADP-dependent oxidoreductase	protein	340	31% helix, 25% strand	—
B	NADP-dependent oxidoreductase	protein	339	32% helix, 25% strand	—

Ligands and binding sites

MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 5 copies · chains A, B
EDO · 1,2-ethanediol · additive · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	721	0.80	0.84	82	MES, EDO
2	737	0.79	0.83	77	MES
3	315	0.64	0.80	42	empty
4	312	0.63	0.79	42	empty
5	112	0.37	0.74	25	empty

Interfaces

1 interface between chains.

A–B · 1778 Å² buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 30 modified (engineered).

Compared structures

5ZXN · Crystal structure of CurA 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 5ZXN · PDBe 5ZXN

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