MolNFT v1 · #147974 · protein

Aerobic S262Y mutation of E. COLI flrd core

6ETB · Anaerobic nitric oxide reductase flavorubredoxin: “Aerobic S262Y mutation of E. COLI flrd core”. X-ray diffraction, 4 ligands (FMN, FE, OXY), 9 pockets (best druggability 0.80). MolNFT v1 #147974 on GenesisL1: 3D structure, binding…

PDB: 6ETB
Type: protein
Length: 800 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Anaerobic nitric oxide reductase flavorubredoxin
UniProt: Q46877
Ligands: FMN, FE, OXY, O
Pockets: 9 · best druggability 0.80

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Anaerobic nitric oxide reductase flavorubredoxin	protein	400	37% helix, 25% strand	Q46877

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
FE · Fe (III) ion · metal · 4 copies · chains A, B
OXY · Oxygen molecule · ion · 2 copies · chains A, B
O · Oxygen atom · ion · 2 copies · chains A, B

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

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1123	0.80	0.82	108	empty
2	140	0.72	0.90	27	empty
3	52	0.71	0.98	17	empty
4	416	0.68	0.80	47	empty
5	78	0.55	0.85	16	empty

Interfaces

1 interface between chains.

A–B · 1552 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

6ETB · Aerobic S262Y mutation of E. coli FLRD core · the same entry in another collection · chain A against A, TM-score 1.00
Q46877 · AlphaFold monomer V2.0 prediction for anaerobic nitric oxide reductase flavorubredoxin… · 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 Q46877
Elsewhere: RCSB PDB 6ETB · PDBe 6ETB · UniProt Q46877

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