Structure of PDB 4ys6 Chain A Binding Site BS01

Receptor Information
>4ys6 Chain A (length=324) Species: 357809 (Lachnoclostridium phytofermentans ISDg) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLVGVAMPTKDLQRWNQDGSNMEKQLKDAGYEVDLQYASNDVQTQVSQIE
NMISNGCKLLVIASIEGDSLGTVLAQAKKKGISVIAYDRLIMNSDAVSYY
ATFDNYMVGTKQGEYIKEKLNLETAKGPFNLEIFTGDPGDNNARFFYGGA
MDVLKPYVDGGVLVVKSGSVAFEKVATAGWSTETAQNRMDAIIASYYADG
TKLDAVLCSNDSTALGVTNALTASYKGEWPIVTGQDCDIANVKNMLDGKQ
SMSIFKDTRTLASQVVKMVDAIMKGGEAPVNDTKSYDNGNGIVPSYLCEP
VFADATNYKELLIDSGYYTEDQLK
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain4ys6 Chain A Residue 403 [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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PDB4ys6 CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE
Resolution1.698 Å
Binding residue
(original residue number in PDB)		R29 W30 D103 R104 D155 N157 W195 N225 D251 K271
Binding residue
(residue number reindexed from 1)		R14 W15 D88 R89 D140 N142 W180 N210 D236 K256
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:4ys6, PDBe:4ys6, PDBj:4ys6
PDBsum4ys6
PubMed
UniProtA9KQP6

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