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Crystal structure of (S)-allantoin synthase

Analyse Crystal structure of (S)-allantoin synthase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Z5M
Type
protein
Length
1,089 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Predicted protein
UniProt
B7GAW6
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 40% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APredicted proteinprotein27340% helix, 21% strandB7GAW6
BPredicted proteinprotein27241% helix, 21% strandB7GAW6
C, DPredicted proteinprotein27240% helix, 22% strandB7GAW6

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11610.810.9733empty
211010.780.8088empty
311130.780.7998empty
41060.680.9126empty
51820.620.8333empty

Interfaces

6 interfaces between chains.

  • B–D · 2182 Ų buried · 17 hydrogen bonds · protein-protein
  • A–C · 2159 Ų buried · 19 hydrogen bonds · protein-protein
  • A–B · 688 Ų buried · 10 hydrogen bonds · protein-protein
  • C–D · 669 Ų buried · 7 hydrogen bonds · protein-protein
  • A–D · 362 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5Z5M · Crystal structure of (S)-allantoin synthase · the same entry in another collection · chain A against A, TM-score 1.00

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