MolNFT v1 · #174424 · protein

Crystal structure of pennisetum glaucum monodehydroascorbate reductase

7BUZ: “Crystal structure of pennisetum glaucum monodehydroascorbate reductase”. X-ray diffraction, 2 ligands (FAD, NAD), 3 pockets (best druggability 0.82). MolNFT v1 #174424 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7BUZ
Type: protein
Length: 866 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pennisetum glaucum monodehydroascorbate reductase
EC: 1.6.5.4
Ligands: FAD, NAD
Pockets: 3 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Pennisetum glaucum monodehydroascorbate reductase (EC 1.6.5.4)	protein	433	28% helix, 31% strand	—

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B

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

Pockets

3 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	668	0.82	0.86	83	NAD
2	486	0.82	0.89	66	FAD, NAD
3	723	0.79	0.83	82	FAD, NAD

Interfaces

1 interface between chains.

A–B · 653 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

7BUZ · Crystal structure of Pennisetum glaucum monodehydroascorbate reductase · 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 7BUZ · PDBe 7BUZ

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