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MolNFT v1 · #22188 · protein

1.4 a crystal structure of D30N mutant of nitrophorin 4 from rhodnius prolixus complexed with imidazole

1SXU: “1.4 a crystal structure of D30N mutant of nitrophorin 4 from rhodnius prolixus complexed with imidazole”. X-ray diffraction, 1 ligand (HEM), 1 pocket (best druggability 0.78). MolNFT v1 #22188 on GenesisL1: 3D structure, binding…

PDB
1SXU
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
HEM
Pockets
1 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANitrophorin 4protein18413% helix, 45% strandQ94734

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • IMD · Imidazole · additive · chains A

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
13620.780.8741HEM, IMD

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 1SXU · 1.4 A Crystal Structure of D30N Mutant of Nitrophorin 4 from Rhodnius Prolixus Complexed… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q94734 · AlphaFold monomer V2.0 prediction for nitrophorin-4 (Q94734) · a predicted model of the same protein · chain A against A, TM-score 0.99

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