Structure of PDB 2zzd Chain L Binding Site BS02

Receptor Information
>2zzd Chain L (length=216) Species: 931 (Thiobacillus thioparus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSDFEILEMAVRELAIEKGLFSAEDHRVWKDYVHTLGPLPAARLVAKAWL
DPEYKKLCIEDGVEASKAVGVNWVTSPPTQFGTPSDYCNLRVLADSPTLK
HVVVCTLCSCYPRPILGQSPEWYRSPNYRRRLVRWPRQVLAEFGLQLPSE
VQIRVADSNQKTRYIVMPVRPEGTDGWTEDQLAEIVTRDCLIGVAVPKPG
ITVNAKRPVLKANRPV
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain2zzd Chain L Residue 6001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zzd Structural Basis for Catalytic Activation of Thiocyanate Hydrolase Involving Metal-Ligated Cysteine Modification
Resolution1.78 Å
Binding residue
(original residue number in PDB)		E83 D84
Binding residue
(residue number reindexed from 1)		E60 D61
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C128 C131 S132 C133
Catalytic site (residue number reindexed from 1) C105 C108 S109 C110
Enzyme Commision number 3.5.5.8: thiocyanate hydrolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016787 hydrolase activity
GO:0018760 thiocyanate hydrolase activity
GO:0046872 metal ion binding
GO:0046914 transition metal ion binding
Biological Process
GO:0046265 thiocyanate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2zzd, PDBe:2zzd, PDBj:2zzd
PDBsum2zzd
PubMed19785438
UniProtO66188|SCNC_THITI Thiocyanate hydrolase subunit gamma (Gene Name=scnC)

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