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MolNFT v1 · #158580 · protein

Helicobacter pylori vacuolating cytotoxin a oligomeric assembly 2A (oa-2A)

6NYG · Vacuolating cytotoxin autotransporter: “Helicobacter pylori vacuolating cytotoxin a oligomeric assembly 2A (oa-2A)”. Electron microscopy, 20 pockets (best druggability 0.70). MolNFT v1 #158580 on GenesisL1: 3D structure, binding…

PDB
6NYG
Type
protein
Length
9,000 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Vacuolating cytotoxin autotransporter
UniProt
Q48245
Pockets
20 · best druggability 0.70

Structure

electron microscopy · 1 distinct chain · 5% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, LVacuolating cytotoxin autotransporterprotein7505% helix, 29% strandQ48245

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16810.700.7868empty
26910.700.7868empty
36620.700.7760empty
46420.690.7755empty
56610.690.7764empty

Interfaces

24 interfaces between chains.

  • H–I · 1085 Ų buried · 16 hydrogen bonds · protein-protein
  • B–C · 1085 Ų buried · 16 hydrogen bonds · protein-protein
  • A–F · 1079 Ų buried · 17 hydrogen bonds · protein-protein
  • I–J · 1079 Ų buried · 16 hydrogen bonds · protein-protein
  • J–K · 1077 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

  • 6NYG · Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2a (OA-2a) · the same entry in another collection · chain L against L, TM-score 1.00

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