GL1X · GenesisL1 explorer

MolNFT v1 · #184408 · protein

Cryo-EM structure of P5B-ATPase E2PINHIBIT

7OP8 · Cation-transporting ATPase: “Cryo-EM structure of P5B-ATPase E2PINHIBIT”. Electron microscopy, 2 ligands (BEF, MG), 18 pockets (best druggability 0.83). MolNFT v1 #184408 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7OP8
Type
protein
Length
1,118 residues
Chains
1
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cation-transporting ATPase
EC
7.2.2.-
UniProt
G0S7G9
Ligands
BEF, MG
Pockets
18 · best druggability 0.83

Structure

electron microscopy · 1 distinct chain · 38% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACation-transporting ATPase (EC 7.2.2.-)protein111838% helix, 16% strandG0S7G9

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

18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111480.830.84114empty
24640.660.7865empty
32170.620.8224empty
41710.600.8233empty
5570.590.9217empty

Compared structures

  • 7OP8 · Cryo-EM structure of P5B-ATPase E2Pinhibit · the same entry in another collection · chain A against A, TM-score 1.00

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