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MolNFT v1 · #79841 · protein

Crystal structure of an H-nox protein from nostoc sp. pcc 7120 under 1 atm of xenon

3TF9 · ALR2278 protein: “Crystal structure of an H-nox protein from nostoc sp. pcc 7120 under 1 atm of xenon”. X-ray diffraction, 3 ligands (HEM, NA, XE), 2 pockets (best druggability 0.89). MolNFT v1 #79841 on GenesisL1: 3D structure…

PDB
3TF9
Type
protein
Length
367 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ALR2278 protein
UniProt
Q8YUQ7
Ligands
HEM, NA, XE
Pockets
2 · best druggability 0.89

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AALR2278 proteinprotein18354% helix, 18% strandQ8YUQ7
BALR2278 proteinprotein18452% helix, 19% strandQ8YUQ7

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains A, B
  • XE · Xenon · ion · 2 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111640.890.90127HEM, XE
2860.420.7922empty

Interfaces

1 interface between chains.

  • A–B · 467 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3TF9 · Crystal structure of an H-NOX protein from Nostoc sp. PCC 7120 under 1 atm of xenon · the same entry in another collection · chain A against A, TM-score 1.00

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