MolNFT v1 · #2788 · protein

D95E hydroquinone flavodoxin mutant from D. vulgaris

1C7E: “D95E hydroquinone flavodoxin mutant from D. vulgaris”. X-ray diffraction, 1 ligand (FMN), 2 pockets (best druggability 0.48). MolNFT v1 #2788 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1C7E
Type: protein
Length: 294 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Flavodoxin
UniProt: P00323
Ligands: FMN
Pockets: 2 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Flavodoxin	protein	147	37% helix, 25% strand	P00323

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	74	0.48	0.83	22	FMN
2	79	0.44	0.81	20	FMN

Compared structures

1C7E · D95E hydroquinone flavodoxin mutant from D. vulgaris · the same entry in another collection · chain A against A, TM-score 1.00
P00323 · AlphaFold monomer V2.0 prediction for flavodoxin (P00323) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P00323
Elsewhere: RCSB PDB 1C7E · PDBe 1C7E · UniProt P00323

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