Structure of PDB 4q0u Chain A Binding Site BS02

Receptor Information
>4q0u 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 IDROR
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m1/s1
InChIKeyPYMYPHUHKUWMLA-MROZADKFSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=CC(O)C(O)C(O)CO
OpenEye OEToolkits 1.7.6C([C@@H]([C@@H]([C@@H](C=O)O)O)O)O
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)C=O
CACTVS 3.385OC[C@H](O)[C@H](O)[C@H](O)C=O
OpenEye OEToolkits 1.7.6C(C(C(C(C=O)O)O)O)O
FormulaC5 H10 O5
NameL-ribose
ChEMBL
DrugBank
ZINCZINC000002531049
PDB chain4q0u 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

[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]
PDB4q0u 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)		K93 C103 H106 H108 K111 E113 H188 Q204 R243
Binding residue
(residue number reindexed from 1)		K93 C103 H106 H108 K111 E113 H188 Q204 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:4q0u, PDBe:4q0u, PDBj:4q0u
PDBsum4q0u
PubMed24846739
UniProtQ93UQ5

[Back to BioLiP]