Structure of PDB 8k5i Chain A Binding Site BS03

Receptor Information
>8k5i Chain A (length=392) Species: 34073 (Variovorax paradoxus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YSVAGAPEALALRAGPPASVRAALLAARRRTLDLADDFRAALGDAYPGIG
YAPELNPPLWELGHVAWFQEWWIGRNRQRARGVACEPDHAREPSLLPQAD
AWYDSGRVAHRTRWALPLPDAEATRDYLERTLAQTLALLDELPPDAHDDA
LYFFRLVALHEAMHAEAAAYMAEGLGIALRELAEDAELELPAQRLRMGSD
AGTGFAFDNELLSHDVSIEPLRIDAQAVSWARFLPFVEAGGYEHPAWWSD
AGRDWLARQLLRHPAHLRWQQRWLPLDPQGAAVHLNAHEAEAWCRWAGRR
LPTEAEWECAALTLPGFAWGRVWEWTSSPFEPYPGFAPHPYRDYSAPWFG
TRRVLRGACHATSAALAHARYRNFFEPHRRDIFAGFRSCRAP
Ligand information
Ligand IDGS1
InChIInChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyJUSMHIGDXPKSID-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(S)C1O)CO
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)S)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O
FormulaC6 H12 O5 S
Name1-thio-beta-D-glucopyranose;
1-thio-beta-D-glucose;
1-thio-D-glucose;
1-thio-glucose
ChEMBLCHEMBL132376
DrugBankDB03859
ZINCZINC000003815614
PDB chain8k5i 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

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PDB8k5i Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis
Resolution1.92 Å
Binding residue
(original residue number in PDB)		E68 H71 S112 H171
Binding residue
(residue number reindexed from 1)		E61 H64 S105 H164
Annotation score1
External links