Structure of PDB 3ogv Chain A Binding Site BS05

Receptor Information
>3ogv Chain A (length=986) Species: 51453 (Trichoderma reesei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKA
LGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGP
YINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQIT
NGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDA
FPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLN
ISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVT
IFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQ
FLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSS
TDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYS
TAEIFTWNEFAEKTVLVLYGGAQELHEFAVKNPFGSSKTAKAKKIEGSNV
TIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSG
KQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGI
PKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDS
LPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRG
RFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTL
DRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANV
SISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPS
SSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPY
RALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRG
AKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY
Ligand information
Ligand IDPTQ
InChIInChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14+/m1/s1
InChIKeyZNAMMSOYKPMPGC-HTOAHKCRSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](SCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.0c1ccc(cc1)CCSC2C(C(C(C(O2)CO)O)O)O
CACTVS 3.370OC[CH]1O[CH](SCCc2ccccc2)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0c1ccc(cc1)CCS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
ACDLabs 12.01S(CCc1ccccc1)C2OC(C(O)C(O)C2O)CO
FormulaC14 H20 O5 S
Name2-phenylethyl 1-thio-beta-D-galactopyranoside;
2-Phenylethyl beta-D-thiogalactoside, PETG
ChEMBL
DrugBank
ZINCZINC000004282257
PDB chain3ogv Chain A Residue 1024 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3ogv Crystal structures of Trichoderma reesei beta-galactosidase reveal conformational changes in the active site
Resolution1.4 Å
Binding residue
(original residue number in PDB)		Y96 N140 A141 E142 N199 E200 A237 Y260 F264 E298 F304 Y342 Y364
Binding residue
(residue number reindexed from 1)		Y59 N103 A104 E105 N162 E163 A200 Y223 F227 E261 F267 Y305 Y327
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.23: beta-galactosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004565 beta-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005773 vacuole

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3ogv, PDBe:3ogv, PDBj:3ogv
PDBsum3ogv
PubMed21130883
UniProtQ70SY0

[Back to BioLiP]