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MolNFT v1 · #185746 · protein

Crystal structure of cadmium translocating P-type ATPase

7QC0: “Crystal structure of cadmium translocating P-type ATPase”. X-ray diffraction, 2 ligands (BEF, MG), 5 pockets (best druggability 0.74). MolNFT v1 #185746 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7QC0
Type
protein
Length
638 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cadmium translocating P-type ATPase
UniProt
A3T2G5
Ligands
BEF, MG
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACadmium translocating P-type ATPaseprotein63853% helix, 17% strandA3T2G5

Ligands and binding sites

  • BEF · Beryllium trifluoride ion · ligand · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14510.740.8370empty
28510.720.7778empty
3500.280.7618empty
4510.270.7310empty
5510.250.7211empty

Compared structures

  • 7QC0 · Crystal structure of Cadmium translocating P-type ATPase · the same entry in another collection · chain A against A, TM-score 1.00

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