Structure of PDB 6k5p Chain A Binding Site BS01

Receptor Information
>6k5p Chain A (length=531) Species: 7176 (Culex quinquefasciatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKDWYQHATFYQIYPRSFLDSNGDGIGDLAGITSKMKYLADIGIDATWLS
PPFKSPLKDFGYDVSDFYAIQPEYGNLTDFDKLVEESHKNGIKLMLDFIP
NHSSDQHEWFVKSVVRDPEYSDFYVWRPPATGGGPPNNWISVFGGSAWTY
NQARGEYYLHQFTPQQPDLNYRNPKVLAEMTKMLFFWLDRGVDGFRLDAI
NHMFEDEQFRDEPLSGWGQPGEYDSLDHIYTKDIPDVYDVVYNWRDQMDK
YSAEKGRTIILMTEAYSSIEGTMLYYESADRKRQGAHMPFNFQLIYDFKK
EQNAVGLKSSIDWWMNNMPARHTPSWVAGSHDHSRVASRVGLDRVDQVMT
LLHTLPGTSITYYGEEVAMQDFKEAQQFDNRDPNRTPMQWDSSTSAGFST
NTNTWLRVHPDYARYNVDVMQKNPQSTFHHFQHLTKLRRHRTMQSGEYVH
KTVGTKVYALLRELRGEDSFLTVLNMAGAEDTVDLGDFVNLPQKMRVEVA
QPNSKSKAGNEVDISKLTLGPYDSVVLRATV
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 chain6k5p Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6k5p Crystal structure of BinAB toxin receptor (Cqm1) protein and molecular dynamics simulations reveal the role of unique Ca(II) ion.
Resolution1.805 Å
Binding residue
(original residue number in PDB)		N106 D173 H207 M208 E210
Binding residue
(residue number reindexed from 1)		N101 D168 H202 M203 E205
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D102 R201 D203 E269 H336 D337
Catalytic site (residue number reindexed from 1) D97 R196 D198 E264 H331 D332
Enzyme Commision number 3.2.1.20: alpha-glucosidase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6k5p, PDBe:6k5p, PDBj:6k5p
PDBsum6k5p
PubMed31449868
UniProtB0X223

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