MolNFT v1 · #121780 · protein

Shewanella denitrificans nitrous oxide reductase, app form

5I5I · Nitrous-oxide reductase: “Shewanella denitrificans nitrous oxide reductase, app form”. X-ray diffraction, 10 pockets (best druggability 0.81). MolNFT v1 #121780 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5I5I
Type: protein
Length: 1,076 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nitrous-oxide reductase
EC: 1.7.2.4
UniProt: Q12M27
Pockets: 10 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nitrous-oxide reductase (EC 1.7.2.4)	protein	539	10% helix, 45% strand	Q12M27
B	Nitrous-oxide reductase (EC 1.7.2.4)	protein	537	10% helix, 45% strand	Q12M27

Pockets

10 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	510	0.81	0.87	47	empty
2	100	0.79	0.99	17	empty
3	94	0.78	0.98	18	empty
4	387	0.77	0.86	46	empty
5	423	0.75	0.85	49	empty

Interfaces

1 interface between chains.

A–B · 4124 Å² buried · 53 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

5I5I · Shewanella denitrificans nitrous oxide reductase, app form · 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 Q12M27
Elsewhere: RCSB PDB 5I5I · PDBe 5I5I · UniProt Q12M27

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