Structure of PDB 5mgd Chain A Binding Site BS06

Receptor Information
>5mgd 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 chain5mgd Chain E Residue 3 [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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PDB5mgd Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		N140 E142 E200 Y260 Q298 Y364
Binding residue
(residue number reindexed from 1)		N100 E102 E160 Y220 Q258 Y324
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5mgd, PDBe:5mgd, PDBj:5mgd
PDBsum5mgd
PubMed28391618
UniProtA2QAN3|BGALA_ASPNC Beta-galactosidase A (Gene Name=lacA)

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