MolNFT v1 · #149795 · protein

Crystal structure of oxidised flavodoxin 2 from bacillus cereus

6GAQ: “Crystal structure of oxidised flavodoxin 2 from bacillus cereus”. X-ray diffraction, 3 ligands (FMN, CA, NA), 3 pockets (best druggability 0.50). MolNFT v1 #149795 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6GAQ
Type: protein
Length: 292 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Flavodoxin
UniProt: Q81AM1
Ligands: FMN, CA, NA
Pockets: 3 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Flavodoxin	protein	146	43% helix, 21% strand	Q81AM1

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
CA · Calcium ion · metal · 3 copies · chains A, B
NA · Sodium ion · metal · 2 copies · chains B
PG4 · Tetraethylene glycol · additive · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	112	0.50	0.81	19	PG4
2	87	0.45	0.80	22	FMN
3	92	0.40	0.77	21	FMN

Interfaces

1 interface between chains.

A–B · 741 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

6GAQ · Crystal structure of oxidised Flavodoxin 2 from Bacillus cereus · 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
Every structure of UniProt Q81AM1
Elsewhere: RCSB PDB 6GAQ · PDBe 6GAQ · UniProt Q81AM1

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