Structure of PDB 6dms Chain A Binding Site BS01

Receptor Information
>6dms Chain A (length=703) Species: 264023 (Mariniflexile fucanivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPDPNQGLRAEWMRGALGMLWLPERTFNGNIEGIRIDDFLTQIKDIRTVD
YVQLPLTSPNIFSPTHVAPHPIIESLWQGDTDANGDPINLVAPRESVDDP
LLSWLKALRAAGLRTEIYVNSYNLLARIPEDTQADYPDVSARWMEWCDTN
TEAQAFINSQTYHEGNGRRKYMFCYAEFILKEYAQRYGDLIDAWCFDSAD
NVMEDECGDDPASEDVNDQRIYQAFADACHAGNPNAAIAFNNSVGDREGN
PFTSATLFDDYTFGQPFGGAGNMVVPEALYTYNHDLVVFMQTNNGYAFRD
DTRTWNDNVVAHFFPKQSTTSWNAGNTPCLTDEQFVEWTSTGIVNGGGIT
WGTPLVRTNLENAPVLTLQPYALNQFELTDTYLKEFQSPGKPNWSRQYTI
LPAIYPGQPYSHNLVEGVDFWDPEGVGITGLTASGTLPAWLTISQTATGT
WTLSGTPPVSEASNYTFELMAQDSDGVTNREVKLEVISHPAGFTNPGDGT
PVWFSNPMVLAKATALKDYGSLLKLGVDFYDFEGDVLTITKTSGPDWLVL
TQNSDDTWRLSGMPTAADAGENSFTFNVSDGILSSDTEIKITVDHVAGFT
NLGNGAPVWSSPILNLTDGKGSFAYNYTLQLGTDYYDFEGDALTITKTSG
PDWLTIQQTDANSWKLSGTPINSDAGENSFTFNLSDDTNSTTAEILINVI
ATI
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 chain6dms Chain A Residue 801 [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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PDB6dms Endo-fucoidan hydrolases from glycoside hydrolase family 107 (GH107) display structural and mechanistic similarities to alpha-l-fucosidases from GH29.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		F327 D330 R332 N335 D336
Binding residue
(residue number reindexed from 1)		F298 D301 R303 N306 D307
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6dms, PDBe:6dms, PDBj:6dms
PDBsum6dms
PubMed30282808
UniProtQ08I46

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