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MolNFT v1 · #55092 · protein

Three-dimensional model of SALMONELLA'S needle complex at subnanometer resolution

2Y9K · Protein invg: “Three-dimensional model of SALMONELLA'S needle complex at subnanometer resolution”. Electron microscopy, 20 pockets (best druggability 0.58). MolNFT v1 #55092 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
2Y9K
Type
protein
Length
2,055 residues
Chains
15
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein invg
UniProt
P35672
Pockets
20 · best druggability 0.58

Structure

electron microscopy · 1 distinct chain · 40% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, N, OProtein invgprotein13740% helix, 30% strandP35672

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13680.580.7538empty
23680.570.7535empty
33510.560.7536empty
43490.560.7534empty
53510.560.7534empty

Interfaces

15 interfaces between chains.

  • B–I · 524 Ų buried · 7 hydrogen bonds · protein-protein
  • L–N · 524 Ų buried · 7 hydrogen bonds · protein-protein
  • G–J · 524 Ų buried · 7 hydrogen bonds · protein-protein
  • C–F · 521 Ų buried · 7 hydrogen bonds · protein-protein
  • I–O · 521 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 2Y9K · Three-dimensional model of Salmonella's needle complex at subnanometer resolution · the same entry in another collection · chain O against O, TM-score 1.00

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