Structure of PDB 4bq4 Chain A Binding Site BS01

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 IDGAL
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain4bq4 Chain C Residue 1 [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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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)		L175 R539 W650
Binding residue
(residue number reindexed from 1)		L132 R496 W607
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
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:4bq4, PDBe:4bq4, PDBj:4bq4
PDBsum4bq4
PubMed23921382
UniProtQ21HC5

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