Structure of PDB 1t0o Chain A Binding Site BS02

Receptor Information
>1t0o Chain A (length=417) Species: 51453 (Trichoderma reesei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVMPDGVTGKVPSLGWNSWNAYHCDIDESKFLSAAELIVSSGLLDAGYNY
VNIDDCWSMKDGRVDGHIAPNATRFPDGIDGLAKKVHALGLKLGIYSTAG
TATCAGYPASLGYEDVDAADFADWGVDYLKYDNCNVPSDWQDEYVACNPD
FVKTGPNGTCTTALDPTLAPPGYDWSTSKSAERFGAMRNALAKQSHEIVL
SMCIWGQADVFSWGNSTGISWRMSDDISPNWGSVTRILNLNSFKLNSVDF
WGHNDADMLEVGNGNLTAAETRTHFALWAAMKSPLLIGTDLAQLSQNNIN
LLKNKHLLAFNQDSVYGQPATPYKWGINPDWTFNVTYPAEFWAGPSSKGH
LVLMVNTLDITATKEAKWNEIPGLSAGHYEVRDVWSDKDLGCLSSYKAAV
AAHDTAVILVGKKCQRW
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 chain1t0o Chain A Residue 901 [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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PDB1t0o Crystal structure of alpha-galactosidase from Trichoderma reesei and its complex with galactose: implications for catalytic mechanism
Resolution1.96 Å
Binding residue
(original residue number in PDB)		W19 D54 D55 C104 K130 D132 C203 W205 R222 D226
Binding residue
(residue number reindexed from 1)		W19 D54 D55 C104 K130 D132 C203 W205 R222 D226
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D132 D226
Catalytic site (residue number reindexed from 1) D132 D226
Enzyme Commision number 3.2.1.22: alpha-galactosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004557 alpha-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009311 oligosaccharide metabolic process
GO:0016139 glycoside catabolic process
Cellular Component
GO:0005576 extracellular region
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:1t0o, PDBe:1t0o, PDBj:1t0o
PDBsum1t0o
PubMed15136043
UniProtQ92456

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