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Crystal structure of functional region of uafa from staphylococcus saprophyticus in C2 form at 2.45 ångström resolution

Analyse Crystal structure of functional region of uafa from staphylococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3IS1
Type
protein
Length
393 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uro-adherence factor a
UniProt
Q4A0V8
Pockets
3 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
XUro-adherence factor aprotein3936% helix, 54% strandQ4A0V8

Ligands and binding sites

  • GOL · Glycerol · additive · chains X

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13210.560.7647empty
21330.530.8229empty
3650.300.7413empty

Compared structures

  • 3IS1 · Crystal structure of functional region of UafA from Staphylococcus saprophyticus in C2… · the same entry in another collection · chain X against X, TM-score 1.00
  • Q4A0V8 · AlphaFold monomer V2.0 prediction for uro-adherence factor a (Q4A0V8) · a predicted model of the same protein · chain X against A, TM-score 0.96

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