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MolNFT v1 · #59742 · protein

1.08 a crystal structure of nitrophorin 4 from rhodnius prolixus containing FE(III) deuteroporphyrin IX complexed with ammonia at pH 7.5

3C77 · Nitrophorin-4: “1.08 a crystal structure of nitrophorin 4 from rhodnius prolixus containing FE(III) deuteroporphyrin IX…”. X-ray diffraction, 2 ligands (FDE, NH3), 1 pocket (best druggability 0.78). MolNFT v1 #59742 on GenesisL1: 3D…

PDB
3C77
Type
protein
Length
184 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nitrophorin-4
UniProt
Q94734
Ligands
FDE, NH3
Pockets
1 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
XNitrophorin-4protein18413% helix, 44% strandQ94734

Ligands and binding sites

  • FDE · Fe(iii) deuteroporphyrin IX · ligand · chains X
  • NH3 · Ammonia · ion · chains X

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13490.780.8741NH3, FDE

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3C77 · 1.08 A crystal structure of nitrophorin 4 from Rhodnius prolixus containing FE(III)… · the same entry in another collection · chain X against X, TM-score 1.00
  • Q94734 · AlphaFold monomer V2.0 prediction for nitrophorin-4 (Q94734) · a predicted model of the same protein · chain X against A, TM-score 0.99

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