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MolNFT v1 · #18348 · protein

Crystal structure of nitrophorin 2 L122V/L132V mutant complex with imidazole

1PM1: “Crystal structure of nitrophorin 2 L122V/L132V mutant complex with imidazole”. X-ray diffraction, 1 ligand (HEM), 1 pocket (best druggability 0.72). MolNFT v1 #18348 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1PM1
Type
protein
Length
180 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nitrophorin 2
UniProt
Q26241
Ligands
HEM
Pockets
1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
XNitrophorin 2protein18013% helix, 46% strandQ26241

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains X
  • IMD · Imidazole · additive · 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
13650.720.8345HEM, IMD

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 1PM1 · Crystal structure of nitrophorin 2 L122V/L132V mutant complex with imidazole · the same entry in another collection · chain X against X, TM-score 1.00
  • Q26241 · AlphaFold monomer V2.0 prediction for nitrophorin-2 (Q26241) · a predicted model of the same protein · chain X against A, TM-score 0.99

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