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Crystal structure of a putative zn-dependent exopeptidase (BVU_1317) from bacteroides vulgatus atcc 8482 at 1.80 a resolution

Analyse Crystal structure of a putative zn-dependent exopeptidase (BVU_1317) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3GUX
Type
protein
Length
493 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative zn-dependent exopeptidase
UniProt
A6KZZ2
Pockets
1 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative zn-dependent exopeptidaseprotein24738% helix, 23% strandA6KZZ2
BPutative zn-dependent exopeptidaseprotein24640% helix, 23% strandA6KZZ2

Ligands and binding sites

  • ACT · Acetate ion · additive · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 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
15350.710.7945empty

Interfaces

1 interface between chains.

  • A–B · 372 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 3GUX · Crystal structure of a putative zn-dependent exopeptidase (bvu_1317) from bacteroides… · the same entry in another collection · chain A against A, TM-score 1.00

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