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MolNFT v1 · #46515 · protein

Crystal structure of the heme-isdc complex

2O6P · Iron-regulated surface determinant protein C: “Crystal structure of the heme-isdc complex”. X-ray diffraction, 3 ligands (HEM, ZN, CL), 1 pocket (best druggability 0.74). MolNFT v1 #46515 on GenesisL1: 3D structure, binding sites…

PDB
2O6P
Type
protein
Length
242 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Iron-regulated surface determinant protein C
UniProt
Q7A654
Ligands
HEM, ZN, CL
Pockets
1 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 65% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIron-regulated surface determinant protein Cprotein1237% helix, 66% strandQ7A654
BIron-regulated surface determinant protein Cprotein1197% helix, 65% strandQ7A654

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 6 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, B

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
16150.740.8053HEM

Interfaces

1 interface between chains.

  • A–B · 410 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 2O6P · Crystal Structure of the heme-IsdC complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q7A654 · AlphaFold monomer V2.0 prediction for iron-regulated surface determinant protein C… · a predicted model of the same protein · chain A against A, TM-score 0.97

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