Structure of PDB 4bq4 Chain A Binding Site BS06

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 1803 [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)		N336 R752 Y754
Binding residue
(residue number reindexed from 1)		N293 R709 Y711
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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