Structure of PDB 1ktw Chain A Binding Site BS05

Receptor Information
>1ktw Chain A (length=457) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSPKTYKDADFYVAPTQQDVNYDLVDDFGANGNDTSDDSNALQRAINAIS
RKPNGGTLLIPNGTYHFLGIQMKSNVHIRVESDVIIKPTWNGDGKNHRLF
EVGVNNIVRNFSFQGLGNGFLVDFKDSRDKNLAVFKLGDVRNYKISNFTI
DDNKTIFASILVDVTERNGRLHWSRNGIIERIKQNNALFGYGLIQTYGAD
NILFRNLHSEGGIALRMETDNLLMKNYKQGGIRNIFADNIRCSKGLAAVM
FGPHFMKNGDVQVTNVSSVSCGSAVRSDSGFVELFSPTDEVHTRQSWKQA
VESKLGRGCAQTPYAWAARVTQKDACLDKAKLEYGIEPGSFGTVKVFDVT
ARFGYNADLKQDQLDYFSTSNPMCKRVCLPTKEQWSKQGQIYIGPSLAAV
IDTTPETSKYDYDVKTFNVKRINFPVNSHKTIDTNTESSRVCNYYGMSEC
SSSRWER
Ligand information
Ligand IDG4S
InChIInChI=1S/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5+,6-/m1/s1
InChIKeyLOTQRUGOUKUSEY-DGPNFKTASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O
ACDLabs 10.04O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[S](O)(=O)=O
FormulaC6 H12 O9 S
Name4-O-sulfo-beta-D-galactopyranose;
4-O-sulfo-beta-D-galactose;
4-O-sulfo-D-galactose;
4-O-sulfo-galactose
ChEMBL
DrugBankDB02837
ZINCZINC000005829864
PDB chain1ktw Chain D Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ktw The Structural Bases of the Processive Degradation of iota-Carrageenan, a Main Cell Wall Polysaccharide of Red Algae.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y341 R353 K394
Binding residue
(residue number reindexed from 1)		Y314 R319 K360
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.157: iota-carrageenase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033952 iota-carrageenase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0071555 cell wall organization
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ktw, PDBe:1ktw, PDBj:1ktw
PDBsum1ktw
PubMed14623184
UniProtQ9F5I8|CGIA_ALTMA Iota-carrageenase (Gene Name=cgiA)

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