Structure of PDB 5hqc Chain A Binding Site BS02

Receptor Information
>5hqc 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
NKYEYVYNTTPLNDAALVHTPFTFKNQDGVHISIHEAALVDYAAMVLNQR
RPGVFQADLTPWSSGVAVKKQGAFNTPWRTIQIGEKAVDLVNSDIILNLN
EPNKLGDVSWVKPGKYIGIWWGMHINTHTWGSGDKHGATTKNTKYYMDFA
AKYGFDGVLVEGWNTGWDGDWFFNGDVFSFTQPYDDFDIAALTKYSKQTG
VQLIGHHETSGNVSNYRKQMADAFALYEKSNVSQVKTGYVADGGNIKRID
KNGIARHEWHDGQFMVNEYLHNVKLAAKHKISINTHEPIKDTGLRRTYPN
WITREGARGQEFNAWGTPPNPPEHISMLAFTRMLAGPMDFTPGIFDLSFN
GLGANTNRPQTTLAKQLALYVVLYSPIQMAADLPKNYLAKPDAFQFIQDV
PTDWQQSIALDGAVGDFIVFARKERKRDKYTGNDWYLGAVTDEQARTIEI
SLDFLDNGKQFEAHIYKDGKNAEWKNNPYDLTIEKRLVTASDKLTLKLAT
SGGTAIRFKALL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5hqc Chain A Residue 708 [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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PDB5hqc Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation.
Resolution2.001 Å
Binding residue
(original residue number in PDB)
E456 E474 E480
Binding residue
(residue number reindexed from 1)
E437 E455 E461
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:5hqc, PDBe:5hqc, PDBj:5hqc
PDBsum5hqc
PubMed27645700
UniProtA0A0Y0DFX2

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