MolNFT v1 · #58527 · protein

Wrba from escherichia COLI, native structure

3B6I · Flavoprotein wrba: “Wrba from escherichia COLI, native structure”. X-ray diffraction, 1 ligand (FMN), 2 pockets (best druggability 0.41). MolNFT v1 #58527 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3B6I
Type: protein
Length: 394 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Flavoprotein wrba
UniProt: P0A8G6
Ligands: FMN
Pockets: 2 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Flavoprotein wrba	protein	197	40% helix, 20% strand	P0A8G6

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
15P · Polyethylene glycol (N=34) · additive · 4 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	76	0.41	0.79	18	FMN
2	90	0.41	0.78	18	FMN

Interfaces

1 interface between chains.

A–B · 1048 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

3B6I · WrbA from Escherichia coli, native structure · the same entry in another collection · chain A against A, TM-score 1.00
P0A8G6 · AlphaFold monomer V2.0 prediction for NAD(P)H dehydrogenase (quinone) (P0A8G6) · 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 P0A8G6
Elsewhere: RCSB PDB 3B6I · PDBe 3B6I · UniProt P0A8G6

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