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MolNFT v1 · #142529 · protein

Crystal structure of human ATP7B and tm complex

6A71 · ATP7B protein: “Crystal structure of human ATP7B and tm complex”. X-ray diffraction, 2 ligands (9UX, CA), 1 pocket (best druggability 0.31). MolNFT v1 #142529 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6A71
Type
protein
Length
143 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP7B protein
UniProt
B7ZLR3
Ligands
9UX, CA
Pockets
1 · best druggability 0.31

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATP7B proteinprotein7231% helix, 32% strandB7ZLR3
BATP7B proteinprotein7131% helix, 32% strandB7ZLR3

Ligands and binding sites

  • 9UX · dioxo(di-mu-sulfide)dimolybdenum · ligand · chains B
  • CA · Calcium ion · metal · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · chains A
  • GOL · Glycerol · additive · chains A

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
1650.310.7513CA

Interfaces

1 interface between chains.

  • A–B · 346 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 6A71 · Crystal Structure of Human ATP7B and TM Complex · the same entry in another collection · chain A against A, TM-score 1.00

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