Structure of PDB 4bq4 Chain A Binding Site BS05

Receptor Information
>4bq4 Chain A (length=750) Species: 203122 (Saccharophagus degradans 2-40) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMLFDFENDQVPSNIHFLNARASIETYTGINGEPSKGLKLAMQSKQHS
YTGLAIVPEQPWDWSEFTSASLYFDIVSVGDHSTQFYLDVTDQNGAVFTR
SIDIPVGKMQSYYAKLSGHDLEVPDSGDVNDLNLASGLRSNPPTWTSDDR
QFVWMWGVKNLDLSGIAKISLSVQSAMHDKTVIIDNIRIQPNPPQDENFL
VGLVDEFGQNAKVDYKGKIHSLEELHAARDVELAELDGKPMPSRSKFGGW
LAGPKLKATGYFRTEKINGKWMLVDPEGYPYFATGLDIIRLSNSSTMTGY
DYDQATVAQRSADDVTPEDSKGLMAVSEKSFATRHLASPTRAAMFNWLPD
YDHPLANHYNYRRSAHSGPLKRGEAYSFYSANLERKYGETYPGSYLDKWR
EVTVDRMLNWGFTSLGNWTDPAYYDNNRIPFFANGWVIGDFKTVSSGADF
WGAMPDVFDPEFKVRAMETARVVSEEIKNSPWCVGVFIDNQKSFGRPDSD
KAQYGIPIHTLGRPSEGVPTRQAFSKLLKAKYKTIAALNNAWGLKLSSWA
EFDLGVDVKALPVTDTLRADYSMLLSAYADQYFKVVHGAVEHYMPNHLYL
GARFPDWGMPMEVVKAAAKYADVVSYNSYKEGLPKQKWAFLAELDKPSII
GEFHIGAMDHGSYHPGLIHAASQADRGEMYKDYMQSVIDNPYFVGAHWFQ
YMDSPLTGRAYDGENYNVGFVDVTDTPYQEMVDAAKEVNAKIYTERLGSK
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 chain4bq4 Chain A Residue 1802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bq4 Substrate Recognition and Hydrolysis by a Family 50 Exo-Beta-Agarase Aga50D from the Marine Bacterium Saccharophagus Degradans
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D50 E52 S80 K81 D228
Binding residue
(residue number reindexed from 1)		D7 E9 S37 K38 D185
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.81: beta-agarase.
Gene Ontology
Molecular Function
GO:0004565 beta-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033916 beta-agarase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0009341 beta-galactosidase complex
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:4bq4, PDBe:4bq4, PDBj:4bq4
PDBsum4bq4
PubMed23921382
UniProtQ21HC5

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