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MolNFT v1 · #76649 · protein

The crystal structure of ail, the attachment invasion locus protein of yersinia pestis

3QRA: “The crystal structure of ail, the attachment invasion locus protein of yersinia pestis”. X-ray diffraction, 1 pocket (best druggability 0.51). MolNFT v1 #76649 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3QRA
Type
protein
Length
152 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Attachment invasion locus protein
UniProt
Q0WCZ9
Pockets
1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 74% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAttachment invasion locus proteinprotein1520% helix, 74% strandQ0WCZ9

Ligands and binding sites

  • C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 7 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12000.510.7628C8E

Compared structures

  • 3QRA · The crystal structure of Ail, the attachment invasion locus protein of Yersinia pestis · the same entry in another collection · chain A against A, TM-score 1.00

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