Structure of PDB 4q0s Chain A Binding Site BS03

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 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		P145 K179 F180 V181
Binding residue
(residue number reindexed from 1)		P145 K179 F180 V181
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

[Back to BioLiP]