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MolNFT v1 · #47644 · protein

Crystal structure of a CORC_HLYC domain from haemophilus ducreyi

2P4P · Hypothetical protein HD1797: “Crystal structure of a CORC_HLYC domain from haemophilus ducreyi”. X-ray diffraction, 2 ligands (CA, MG), 1 pocket (best druggability 0.49). MolNFT v1 #47644 on GenesisL1: 3D structure, binding sites…

PDB
2P4P
Type
protein
Length
161 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein HD1797
UniProt
Q7VKS4
Ligands
CA, MG
Pockets
1 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 20% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical protein HD1797protein8419% helix, 35% strandQ7VKS4
BHypothetical protein HD1797protein7721% helix, 38% strandQ7VKS4

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • MG · Magnesium ion · metal · chains A, B
  • GOL · Glycerol · additive · chains 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1900.490.8226empty

Interfaces

1 interface between chains.

  • A–B · 674 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 23 modified (methylation, engineered).

Compared structures

  • 2P4P · Crystal structure of a CorC_HlyC domain from Haemophilus ducreyi · the same entry in another collection · chain A against A, TM-score 1.00

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