Structure of PDB 3ogr Chain A Binding Site BS06

Receptor Information
>3ogr 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 IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain3ogr Chain C Residue 6 [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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PDB3ogr Crystal structures of Trichoderma reesei beta-galactosidase reveal conformational changes in the active site
Resolution1.5 Å
Binding residue
(original residue number in PDB)		P306 D776 A777
Binding residue
(residue number reindexed from 1)		P269 D739 A740
Annotation score4
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ogr, PDBe:3ogr, PDBj:3ogr
PDBsum3ogr
PubMed21130883
UniProtQ70SY0

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