Structure of PDB 5ya8 Chain D Binding Site BS02

Receptor Information
>5ya8 Chain D (length=365) Species: 1197861 (Paracoccus laeviglucosivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALGVALIGTGFMGKCHAMAWRNVATAFGGLPPRLEVLADMPADKAHSLAS
SFGFARGTADWREAVSDPAVDVVSITTPNGLHREMAEAALAAGKHVWLEK
PMALSVEDAQAMEAAARASDRRTIIGYNYTRSPAFRAAVDLIAEGAIGRP
IHFRGMYDEDYMADPDPWSWRLTRKDGGLGALGDLGCHLVSVMVSLMGPV
ARVYAQADTVITDRPHQGGTARVENEDQAQALIRFASGTSGEFSCSRVAR
GYRCRLAWEVQGTEGTLRFDQERMNELWLYQPGRPEIDGFRRILTGPAQP
GFAAFCPGGGHNFGFNEQKVVEAEMLRQAIAGRGKAWPDFTDGLTIERVI
HGMATSAQTGQPVNF
Ligand information
Ligand IDINS
InChIInChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
InChIKeyCDAISMWEOUEBRE-GPIVLXJGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(C(C(C1O)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(O)C(O)C(O)C1O
CACTVS 3.341O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
FormulaC6 H12 O6
Name1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE;
MYO-INOSITOL
ChEMBLCHEMBL1222251
DrugBankDB13178
ZINCZINC000100018867
PDB chain5ya8 Chain D Residue 402 [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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PDB5ya8 Structural basis of L-glucose oxidation by scyllo-inositol dehydrogenase: Implications for a novel enzyme subfamily classification
Resolution2.3 Å
Binding residue
(original residue number in PDB)		K106 Y135 Y163 E165 R178 D191 L192 H195
Binding residue
(residue number reindexed from 1)		K100 Y129 Y157 E159 R171 D184 L185 H188
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:5ya8, PDBe:5ya8, PDBj:5ya8
PDBsum5ya8
PubMed29799855
UniProtK7ZP76

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