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MolNFT v1 · #67837 · protein

Crystal structure of a FAD-dependent pyridine nucleotide-disulphide oxidoreductase from desulfovibrio vulgaris

3IWA: “Crystal structure of a FAD-dependent pyridine nucleotide-disulphide oxidoreductase from desulfovibrio vulgaris”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.69). MolNFT v1 #67837 on GenesisL1: 3D structure…

PDB
3IWA
Type
protein
Length
397 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
FAD-dependent pyridine nucleotide-disulphide oxidoreductase
EC
1.6.-.-
UniProt
A1V9T4
Ligands
CA
Pockets
2 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFAD-dependent pyridine nucleotide-disulphide oxidoreductase (EC 1.6.-.-)protein39728% helix, 32% strandA1V9T4

Ligands and binding sites

  • CA · Calcium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16510.690.7777empty
2750.330.7417empty

Compared structures

  • 3IWA · Crystal structure of a FAD-dependent pyridine nucleotide-disulphide oxidoreductase from… · the same entry in another collection · chain A against A, TM-score 1.00

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