Structure of PDB 4q0v Chain A Binding Site BS02

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 502 [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)		I65 K93 H106 H108 K111 E113 H188 Q204 E211 R243
Binding residue
(residue number reindexed from 1)		I65 K93 H106 H108 K111 E113 H188 Q204 E211 R243
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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