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Crystal structure of ribose-1,5-bisphosphate isomerase from pyrococcus horikoshii OT3 in complex with ribulose-1,5-bisphosphate and gmp

Analyse Crystal structure of ribose-1,5-bisphosphate isomerase from pyrococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5YG5
Type
protein
Length
966 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribose 1,5-bisphosphate isomerase
EC
5.3.1.29
UniProt
O57947
Ligands
G, RUB, K
Pockets
13 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CRibose 1,5-bisphosphate isomerase (EC 5.3.1.29)protein32253% helix, 13% strandO57947

Ligands and binding sites

  • G · Guanosine-5'-monophosphate · ligand · 5 copies · chains B, A, C
  • RUB · Ribulose-1,5-diphosphate · ligand · 3 copies · chains A, B, C
  • K · Potassium ion · metal · 3 copies · chains A, B, C
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains B

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

Pockets

13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18830.790.8196G
2940.690.9330RUB
3860.680.9327RUB
4860.650.9128RUB
52820.580.7841empty

Interfaces

3 interfaces between chains.

  • B–C · 739 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 732 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 732 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 5YG5 · Crystal structure of ribose-1,5-bisphosphate isomerase from Pyrococcus horikoshii OT3 in… · the same entry in another collection · chain A against A, TM-score 1.00
  • O57947 · AlphaFold monomer V2.0 prediction for ribose 1,5-bisphosphate isomerase (O57947) · a predicted model of the same protein · chain A against A, TM-score 0.97

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