MolNFT v1 · #51379 · protein

I92A flavodoxin from anabaena

2V5U: “I92A flavodoxin from anabaena”. X-ray diffraction, 1 ligand (FMN), 4 pockets (best druggability 0.63). MolNFT v1 #51379 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2V5U
Type: protein
Length: 336 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Flavodoxin
UniProt: P0A3E0
Ligands: FMN
Pockets: 4 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Flavodoxin	protein	167	34% helix, 22% strand	P0A3E0
B	Flavodoxin	protein	169	37% helix, 22% strand	P0A3E0

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

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	168	0.63	0.84	26	FMN
2	81	0.50	0.83	21	FMN
3	150	0.45	0.76	18	empty
4	78	0.35	0.76	18	empty

Interfaces

1 interface between chains.

A–B · 453 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

2V5U · I92A flavodoxin from anabaena · the same entry in another collection · chain A against A, TM-score 1.00
P0A3E0 · AlphaFold monomer V2.0 prediction for flavodoxin (P0A3E0) · a predicted model of the same protein · 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 P0A3E0
Elsewhere: RCSB PDB 2V5U · PDBe 2V5U · UniProt P0A3E0

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