Structure of PDB 5juv Chain A Binding Site BS05

Receptor Information
>5juv Chain A (length=968) Species: 425011 (Aspergillus niger CBS 513.88) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLQKYVTWDDKSLFINGERIMIFSGEFHPFRLPVKELQLDIFQKVKALGF
NCVSFYVDWALVEGKPGEYRADGIFDLEPFFDAASEAGIYLLARPGPYIN
AESSGGGFPGWLQRVNGTLRSSDKAYLDATDNYVSHVAATIAKYQITNGG
PIILYQPENEYTSGCCGVEFPDPVYMQYVEDQARNAGVVIPLINNDASAS
GNNAPGTGKGAVDIYGHDSYPLGFDCANPTVWPSGDLPTNFRTLHLEQSP
TTPYAIVQFQGGSYDPWGGPGFAACSELLNNEFERVFYKNDFSFQIAIMN
LYMIFGGTNWGNLGYPNGYTSYDYGSAVTESRNITREKYSELKLLGNFAK
VSPGYLTASPGNLTTSGYADTTDLTVTPLLGNSTGSFFVVRHSDYSSEES
TSYKLRLPTSAGSVTIPQLGGTLTLNGRDSKIHVTDYNVSGTNIIYSTAE
VFTWKKFADGKVLVLYGGAGEHHELAISTKSNVTVIEGSESGISSKQTSS
SVVVGWDVSTTRRIIQVGDLKILLLDRNSAYNYWVPQLATDGTSPGFSTP
EKVASSIIVKAGYLVRTAYLKGSGLYLTADFNATTSVEVIGVPSTAKNLF
INGDKTSHTVDKNGIWSATVDYNAPDISLPSLKDLDWKYVDTLPEIQSSY
DDSLWPAADLKQTKNTLRSLTTPTSLYSSDYGFHTGYLLYRGHFTATGNE
STFAIDTQGGSAFGSSVWLNGTYLGSWTGLYANSDYNATYNLPQLQAGKT
YVITVVIDNMGLEENWTVGEDLMKTPRGILNFLLAGRPSSAISWKLTGNL
GGEDYEDKVRGPLNEGGLYAERQGFHQPEPPSQNWKSSSPLEGLSEAGIG
FYSASFDLDLPKGWDVPLFLNIGNSTTPSPYRVQVYVNGYQYAKYISNIG
PQTSFPVPEGILNYRGTNWLAVTLWALDSAGGKLESLELSYTTPVLTALG
EVESVDQPKYKKRKGAYH
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 chain5juv Chain E Residue 1 [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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PDB5juv Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
Resolution2.27 Å
Binding residue
(original residue number in PDB)		E200 A237 D258 Y260
Binding residue
(residue number reindexed from 1)		E160 A197 D218 Y220
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
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5juv, PDBe:5juv, PDBj:5juv
PDBsum5juv
PubMed28391618
UniProtA2QAN3|BGALA_ASPNC Beta-galactosidase A (Gene Name=lacA)

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