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The crystal structure of an amidohydrolase from mycoplasma synoviae with zn ion bound

Analyse The crystal structure of an amidohydrolase from mycoplasma synoviae with zn ion… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3OVG
Type
protein
Length
2,106 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Amidohydrolase
UniProt
Q4A724
Ligands
ZN, PO4
Pockets
20 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FAmidohydrolaseprotein35148% helix, 17% strandQ4A724

Ligands and binding sites

  • ZN · Zinc ion · metal · 12 copies · chains A, B, C, D, E, F
  • PO4 · Phosphate ion · ion · 6 copies · chains A, B, C, D, E, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110160.790.8088empty
27570.770.8162empty
37650.770.8160empty
46510.720.7846empty
56410.710.7846empty

Interfaces

9 interfaces between chains.

  • D–E · 1050 Ų buried · 9 hydrogen bonds · protein-protein
  • A–F · 1037 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 1027 Ų buried · 7 hydrogen bonds · protein-protein
  • A–E · 959 Ų buried · 11 hydrogen bonds · protein-protein
  • C–F · 958 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 42 modified (engineered, carboxylation).

Compared structures

  • 3OVG · The crystal structure of an amidohydrolase from Mycoplasma synoviae with Zn ion bound · the same entry in another collection · chain C against C, TM-score 1.00
  • Q4A724 · AlphaFold monomer V2.0 prediction for phospho-furanose lactonase (Q4A724) · a predicted model of the same protein · chain A against A, TM-score 1.00

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