GL1X · GenesisL1 explorer

MolNFT v1 · #88866 · protein

Metallosphera sedula VPS4 crystal structure

4D80 · Aaa ATPase, central domain protein: “Metallosphera sedula VPS4 crystal structure”. X-ray diffraction, 17 pockets (best druggability 0.81). MolNFT v1 #88866 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4D80
Type
protein
Length
1,607 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aaa ATPase, central domain protein
EC
3.6.4.6
UniProt
A4YHC5
Pockets
17 · best druggability 0.81

Structure

x-ray diffraction · 6 distinct chains · 51% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAaa ATPase, central domain protein (EC 3.6.4.6)protein26950% helix, 9% strandA4YHC5
BAaa ATPase, central domain protein (EC 3.6.4.6)protein25753% helix, 10% strandA4YHC5
CAaa ATPase, central domain protein (EC 3.6.4.6)protein27253% helix, 9% strandA4YHC5
DAaa ATPase, central domain protein (EC 3.6.4.6)protein27349% helix, 9% strandA4YHC5
EAaa ATPase, central domain protein (EC 3.6.4.6)protein26252% helix, 10% strandA4YHC5
FAaa ATPase, central domain protein (EC 3.6.4.6)protein27451% helix, 9% strandA4YHC5

Pockets

17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111580.810.82103empty
29270.800.82102empty
311070.800.81106empty
48520.770.8191empty
511400.770.7992empty

Interfaces

6 interfaces between chains.

  • A–F · 1504 Ų buried · 11 hydrogen bonds · protein-protein
  • C–D · 1331 Ų buried · 7 hydrogen bonds · protein-protein
  • D–E · 1221 Ų buried · 7 hydrogen bonds · protein-protein
  • E–F · 1055 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 1021 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 4D80 · Metallosphera sedula Vps4 crystal structure · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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