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MolNFT v1 · #31186 · protein

Loose dimer of a bacillus subtilis nitric oxide synthase

2AMO · Nitric oxide synthase oxygenase: “Loose dimer of a bacillus subtilis nitric oxide synthase”. X-ray diffraction, 1 ligand (HEM), 6 pockets (best druggability 0.79). MolNFT v1 #31186 on GenesisL1: 3D structure, binding sites and…

PDB
2AMO
Type
protein
Length
724 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nitric oxide synthase oxygenase
EC
1.14.13.39
UniProt
O34453
Ligands
HEM
Pockets
6 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNitric oxide synthase oxygenase (EC 1.14.13.39)protein36242% helix, 15% strandO34453

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18650.790.8273HEM
27350.780.8266HEM
3760.510.8419empty
41040.380.7517empty
5770.350.7618empty

Interfaces

1 interface between chains.

  • A–B · 63 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 2AMO · Loose Dimer of a Bacillus subtilis Nitric Oxide Synthase · the same entry in another collection · chain A against A, TM-score 1.00
  • O34453 · AlphaFold monomer V2.0 prediction for nitric oxide synthase oxygenase (O34453) · a predicted model of the same protein · chain A against A, TM-score 1.00

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