Structure of PDB 2gh4 Chain A Binding Site BS02

Receptor Information
>2gh4 Chain A (length=363) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSPLTYAEALANTIMNTYTVEELPPANRWHYHQGVFLCGVLRLWEATGEK
RYFEYAKAYADLLIDDNGNLLFRRDELDAIQAGLILFPLYEQTKDERYVK
AAKRLRSLYGTLNRTSEGGFWHKDGYPYQMWLNGLYMGGPFALKYANLKQ
ETELFDQVVLQESLMRKHTKDAKTGLFYHAWDEAKKMPWANEETGCSPEF
WARSIGWYVMSLADMIEELPKKHPNRHVWKNTLQDMIKSICRYQDKETGL
WYQIVDKGDRSDNWLESSGSCLYMYAIAKGINKGYLDRAYETTLLKAYQG
LIQHKTETSEDGAFLVKDICVGTSAGFYDYYVSRERSTNDLHGAGAFILA
MTELEPLFRSAGK
Ligand information
Ligand IDGAD
InChIInChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/t3-,4-/m0/s1
InChIKeyGQECVRZDTXJRPX-IMJSIDKUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1COC(=C[CH]1O)C(O)=O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](C=C(O1)C(=O)O)O)O
CACTVS 3.341O[C@H]1COC(=C[C@@H]1O)C(O)=O
ACDLabs 10.04O=C(O)C=1OCC(O)C(O)C=1
OpenEye OEToolkits 1.5.0C1C(C(C=C(O1)C(=O)O)O)O
FormulaC6 H8 O5
Name2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid
ChEMBL
DrugBankDB03284
ZINC
PDB chain2gh4 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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PDB2gh4 Structure of unsaturated rhamnogalacturonyl hydrolase complexed with substrate
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y41 D88 H132 N143 W211 R213 G332 T333 H352
Binding residue
(residue number reindexed from 1)		Y31 D78 H122 N133 W201 R203 G322 T323 H342
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.172: unsaturated rhamnogalacturonyl hydrolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0102211 unsaturated rhamnogalacturonyl hydrolase activity
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2gh4, PDBe:2gh4, PDBj:2gh4
PDBsum2gh4
PubMed16870154
UniProtO34559|URHG2_BACSU Unsaturated rhamnogalacturonyl hydrolase YteR (Gene Name=yteR)

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