Structure of PDB 4q0s Chain A Binding Site BS02

Receptor Information
>4q0s 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 IDRB0
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-
InChIKeyHEBKCHPVOIAQTA-ZXFHETKHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(C(C(CO)O)O)O)O
CACTVS 3.370OC[CH](O)[CH](O)[CH](O)CO
ACDLabs 12.01OC(CO)C(O)C(O)CO
OpenEye OEToolkits 1.7.6C([C@H](C([C@H](CO)O)O)O)O
CACTVS 3.370OC[C@H](O)[C@H](O)[C@H](O)CO
FormulaC5 H12 O5
NameD-ribitol
ChEMBLCHEMBL3137744
DrugBankDB14704
ZINCZINC000100014205
PDB chain4q0s 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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PDB4q0s 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)		C103 H106 H108 K111 E113 H188 E204 R243
Binding residue
(residue number reindexed from 1)		C103 H106 H108 K111 E113 H188 E204 R243
Annotation score1
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:4q0s, PDBe:4q0s, PDBj:4q0s
PDBsum4q0s
PubMed24846739
UniProtQ93UQ5

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