Structure of PDB 4q0q Chain A Binding Site BS09

Receptor Information
>4q0q Chain A (length=249) Species: 160971 (Acinetobacter sp. DL-28) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SARTSITRREYDEWVREAAALGKALRYPITEKMVNDSAGIVFGADQYDAF
KNGMWSGEPYEAMIIFESLNEPAVDGLPTGAAPYAEYSGLCDKLMIVHPG
KFCPPHHHGRKTESYEVVLGEMEVFYSPTPSAESGVELLNFSGMPVGSPW
PEGVALPKGRESSYEKLTSYVRLRAGDPKFVMHRKHLHAFRCPPDSDVPL
VVREVSTYSHEPTEAAAGNHAPIPSWLGMHDNDFVSDAANTGRLQTAIS
Ligand information
Ligand IDRUU
InChIInChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1
InChIKeyLQXVFWRQNMEDEE-VAYJURFESA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@@]1(O)OC[C@H](O)[C@@H]1O
ACDLabs 12.01OCC1(O)OCC(O)C1O
OpenEye OEToolkits 1.7.6C1C(C(C(O1)(CO)O)O)O
CACTVS 3.385OC[C]1(O)OC[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O
FormulaC5 H10 O5
Namealpha-L-ribulofuranose;
alpha-L-ribulose;
L-ribulose;
ribulose
ChEMBL
DrugBank
ZINC
PDB chain4q0q Chain A Residue 509 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4q0q X-ray structure of a novel L-ribose isomerase acting on a non-natural sugar L-ribose as its ideal substrate.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		K23 R26
Binding residue
(residue number reindexed from 1)		K23 R26
Annotation score4
Enzymatic activity
Enzyme Commision number 5.3.1.-
Gene Ontology
Molecular Function
GO:0016853 isomerase activity

View graph for
Molecular Function
External links
PDB RCSB:4q0q, PDBe:4q0q, PDBj:4q0q
PDBsum4q0q
PubMed24846739
UniProtQ93UQ5

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