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MolNFT v1 · #174513 · protein

Clc-7/OSTM1 membrane protein complex

7BXU · Osteopetrosis-associated transmembrane protein 1: “Clc-7/OSTM1 membrane protein complex”. Electron microscopy, 1 ligand (NAG), 20 pockets (best druggability 0.82). MolNFT v1 #174513 on GenesisL1: 3D structure, binding sites and…

PDB
7BXU
Type
protein
Length
1,752 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Osteopetrosis-associated transmembrane protein 1; H(+)/CL(-) exchange transporter 7
UniProt
Q86WC4, P51798
Ligands
NAG
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 2 distinct chains · 52% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, DOsteopetrosis-associated transmembrane protein 1protein20364% helix, 0% strandQ86WC4
A, BH(+)/CL(-) exchange transporter 7protein67349% helix, 4% strandP51798

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 14 copies · chains C, D

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15790.820.8864empty
29300.820.8369empty
35600.800.8654empty
47690.800.8353empty
54240.760.8548empty

Interfaces

4 interfaces between chains.

  • A–B · 3704 Ų buried · 30 hydrogen bonds · protein-protein
  • C–D · 1997 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 1088 Ų buried · 7 hydrogen bonds · protein-protein
  • C–B · 1074 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 glycan, 6 disulfide (N-glycosylation, disulfide).

Compared structures

  • 7BXU · CLC-7/Ostm1 membrane protein complex · the same entry in another collection · chain C against C, TM-score 1.00
  • P51798 · AlphaFold monomer V2.0 prediction for H(+)/CL(-) exchange transporter 7 (P51798) · a predicted model of the same protein · chain B against A, TM-score 0.97
  • Q86WC4 · AlphaFold monomer V2.0 prediction for osteopetrosis-associated transmembrane protein 1… · a predicted model of the same protein · chain C against A, TM-score 0.78

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