Structure of PDB 3zsc Chain A Binding Site BS02

Receptor Information
>3zsc Chain A (length=329) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKPVGFASVPTADLPEGTVGGLGGEIVFVRTAEELEKYTTAEGKYVIVVD
GTIVFEPKREIKVLSDKTIVGINDAKIVGGGLVIKDAQNVIIRNIHFEGF
YMEDDPRGKKYDFDYINVENSHHIWIDHITFVNGNDGAVDIKKYSNYITV
SWNKFVDHDKVSLVGSSDKEDPEQAGQAYKVTYHHNYFKNLIQRMPRIRF
GMAHVFNNFYSMGLRTGVSGNVFPIYGVASAMGAKVHVEGNYFMGYGAVM
AEAGIAFLPTRIMGPVEGYLTLGEGDAKNEFYYCKEPEVRPVEEGKPALD
PREYYDYTLDPVQDVPKIVVDGAGAGKLV
Ligand information
Ligand IDADA
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1
InChIKeyAEMOLEFTQBMNLQ-BKBMJHBISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
CACTVS 3.341O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
OpenEye OEToolkits 1.5.0[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
FormulaC6 H10 O7
Namealpha-D-galactopyranuronic acid;
alpha-D-galacturonic acid;
D-galacturonic acid;
galacturonic acid;
ALPHA D-GALACTURONIC ACID
ChEMBL
DrugBankDB03511
ZINCZINC000004228259
PDB chain3zsc Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zsc Catalytic Function and Substrate Recognition of the Pectate Lyase from Thermotoga Maritima
Resolution1.94 Å
Binding residue
(original residue number in PDB)		Q196 R197 R200
Binding residue
(residue number reindexed from 1)		Q193 R194 R197
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D115 D117 D139 D143 R197
Catalytic site (residue number reindexed from 1) D112 D114 D136 D140 R194
Enzyme Commision number 4.2.2.22: pectate trisaccharide-lyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0030570 pectate lyase activity
GO:0046872 metal ion binding
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:3zsc, PDBe:3zsc, PDBj:3zsc
PDBsum3zsc
PubMed
UniProtQ9WYR4|PTLY_THEMA Pectate trisaccharide-lyase (Gene Name=pelA)

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