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MolNFT v1 · #75126 · protein

Crystal structure of the heteromolecular chaperone, asce-ascg, from the type III secretion system in aeromonas hydrophila

3PH0: “Crystal structure of the heteromolecular chaperone, asce-ascg, from the type III secretion system in…”. X-ray diffraction, 3 pockets (best druggability 0.60). MolNFT v1 #75126 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
3PH0
Type
protein
Length
226 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Asce; Ascg
UniProt
Q1EHA4, Q1EHA2
Pockets
3 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 81% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAsceprotein6083% helix, 0% strandQ1EHA4
C, DAscgprotein5377% helix, 0% strandQ1EHA2

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11410.600.8424empty
21310.570.8326empty
3730.340.7620empty

Interfaces

6 interfaces between chains.

  • A–C · 938 Ų buried · 2 hydrogen bonds · protein-protein
  • B–D · 866 Ų buried · 3 hydrogen bonds · protein-protein
  • C–D · 319 Ų buried · 0 hydrogen bonds · protein-protein
  • C–B · 253 Ų buried · 2 hydrogen bonds · protein-protein
  • A–B · 202 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 3PH0 · Crystal structure of the heteromolecular chaperone, AscE-AscG, from the type III… · the same entry in another collection · chain A against A, TM-score 1.00

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