Structure of PDB 5hqb Chain A Binding Site BS02

Receptor Information
>5hqb Chain A (length=662) Species: 1719649 (Pseudoalteromonas sp. K8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATVQSPDGNIKIIISDEQSTPSYSISFKNKTVINNSALGFEFKQHAPFSN
SFKITKVQQQSTNTQWQQPWGERQTVVDQHNEVTVTFAKPQPQGGTYSVR
FKAFDSGVGFRYEVPKQAGLNNIEITKELTEFAVNNSHTATAWWIPARGW
NRYEYVYNTTPLNDAALVHTPFTFKNQDGVHISIHEAALVDYAAMVLNQR
RPGVFQADLTPWSSGVAVKKQGAFNTPWRTIQIGEKAVDLVNSDIILNLN
EPNKLGDVSWVKPGKYIGIWWGMHINTHTWGSGDKHGATTKNTKYYMDFA
AKYGFDGVLVEGWNTGWDGDWFFNGDVFSFTQPYDDFDIAALTKYSKQTG
VQLIGHHETSGNVSNYRKQMADAFALYEKSNVSQVKTGYVADGGNIKRID
KNGIARHEWHDGQFMVNEYLHNVKLAAKHKISINTHEPIKDTGLRRTYPN
WITREGARGQQFNAWGTPPNPPEHISMLAFTRMLAGPMDFTPGIFDLSFN
GLGANTNRPQTTLAKQLALYVVLYSPIQMAADLPKNYLAKPDAFQFIQDV
PTDWQQSIALDGAVGDFIVFARKERKRDKYTGNDWYLGAVTDEQARTIEI
SLDFLDNGKQFEAHIYKDGKNAEWKNNPYDLTIEKRLVTASDKLTLKLAT
SGGTAIRFKALL
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain5hqb Chain B Residue 3 [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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PDB5hqb Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W289 H293 E330 W336 W340 H375 E377 K405 V409 H455 E456 E474 Q480
Binding residue
(residue number reindexed from 1)		W270 H274 E311 W317 W321 H356 E358 K386 V390 H436 E437 E455 Q461
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5hqb, PDBe:5hqb, PDBj:5hqb
PDBsum5hqb
PubMed27645700
UniProtA0A0Y0DFX2

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