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MolNFT v1 · #11201 · protein

Minimum energy representative structure of a calcium bound ef-hand protein from entamoeba histolytica

1JFK · Calcium-binding protein: “Minimum energy representative structure of a calcium bound ef-hand protein from entamoeba histolytica”. Solution nmr, 1 ligand (CA), 2 pockets (best druggability 0.76). MolNFT v1 #11201 on GenesisL1: 3D…

PDB
1JFK
Type
protein
Length
134 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calcium-binding protein
UniProt
P38505
Ligands
CA
Pockets
2 · best druggability 0.76

Structure

solution nmr · 1 distinct chain · 57% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalcium-binding proteinprotein13457% helix, 9% strandP38505

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15430.760.8353empty
2870.430.7915empty

Compared structures

  • 1JFK · Minimum energy representative structure of a calcium bound ef-hand protein from entamoeba… · the same entry in another collection · chain A against A, TM-score 1.00
  • P38505 · AlphaFold monomer V2.0 prediction for calcium-binding protein (P38505) · a predicted model of the same protein · chain A against A, TM-score 0.46

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