Structure of PDB 6ktl Chain D Binding Site BS02

Receptor Information
>6ktl Chain D (length=368) Species: 1197861 (Paracoccus laeviglucosivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KALGVALIGTGFMGKCHAMAWRNVATAFGGLPPRLEVLADMPADKAHSLA
SSFGFARGTADWREAVSDPAVDVVSITTPNGLHREMAEAALAAGKHVWLE
KPMALSVEDAQAMEAAARASDRRTIIGYNYTRSPAFRAAVDLIAEGAIGR
PIHFRGMYDEDYMADPDLPWSWALTRKDGGLGALGDLGCHLVSVMVSLMG
PVARVYAQADTVITDRPHQGGTARVENEDQAQALIRFASGTSGEFSCSRV
ARGYRCRLAWEVQGTEGTLRFDQERMNELWLYQPGRPEIDGFRRILTGPA
QPGFAAFCPGGGHNFGFNEQKVVEAEMLRQAIAGRGKAWPDFTDGLTIER
VIHGMATSAQTGQPVNFL
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 chain6ktl 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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PDB6ktl Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		K106 Y163 E165 D191 H195
Binding residue
(residue number reindexed from 1)		K101 Y158 E160 D186 H190
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:6ktl, PDBe:6ktl, PDBj:6ktl
PDBsum6ktl
PubMed31842701
UniProtK7ZP76

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