Structure of PDB 4q0v Chain A Binding Site BS04

Receptor Information
>4q0v 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
VVRQVSTYSHEPTEAAAGNHAPIPSWLGMHDNDFVSDAANTGRLQTAIS
Ligand information
Ligand IDQDK
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1
InChIKeyZAQJHHRNXZUBTE-UCORVYFPSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H](O)[C@H](O)C(=O)CO
ACDLabs 12.01O=C(CO)C(O)C(O)CO
OpenEye OEToolkits 1.7.0C(C(C(C(=O)CO)O)O)O
OpenEye OEToolkits 1.7.0C([C@@H]([C@@H](C(=O)CO)O)O)O
CACTVS 3.370OC[CH](O)[CH](O)C(=O)CO
FormulaC5 H10 O5
NameL-ribulose
ChEMBL
DrugBankDB03947
ZINCZINC000000902219
PDB chain4q0v Chain A Residue 504 [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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PDB4q0v X-ray structure of a novel L-ribose isomerase acting on a non-natural sugar L-ribose as its ideal substrate.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		M33 E67 L69 N70
Binding residue
(residue number reindexed from 1)		M33 E67 L69 N70
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:4q0v, PDBe:4q0v, PDBj:4q0v
PDBsum4q0v
PubMed24846739
UniProtQ93UQ5

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