Structure of PDB 6ik6 Chain B Binding Site BS01

Receptor Information
>6ik6 Chain B (length=705) Species: 4081 (Solanum lycopersicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFSVSYDDRAIIINGKRKILISGSIHYPRSTPQMWPDLIQKAKDGGLDVI
ETYVFWNGHEPSPGKYNFEGRYDLVRFIKMVQRAGLYVNLRIGPYVCAEW
NFGGFPVWLKYVPGMEFRTNNQPFKVAMQGFVQKIVNMMKSENLFESQGG
PIIMAQIENAYGPVEWEIGAPGKAYTKWAAQMAVGLKTGVPWIMCKQEDA
PDPVIDTCNGFYCEGFRPNKPYKPKMWTEVWTGWYTKFGGPIPQRPAEDI
AFSVARFVQNNGSFFNYYMYHGGTNFGRTSSGLFIATSYDYDAPLDEYGL
LNEPKYGHLRDLHKAIKLSEPALVSSYAAVTSLGSNQEAHVYRSKSGACA
AFLSNYDSRYSVKVTFQNRPYNLPPWSISILPDCKTAVYNTAQVNSQSSS
IKMTPAGGGLSWQSYNEETPTADDSDTLTANGLWEQKNVTRDSSDYLWYM
TNVNIASNEGFLKNGKDPYLTVMSAGHVLHVFVNGKLSGTVYGTLDNPKL
TYSGNVKLRAGINKISLLSVSVGLPNVGVHYDTWNAGVLGPVTLSGLNEG
SRNLAKQKWSYKVGLKGESLSLHSLSGSSSVEWVRGSLMAQKQPLTWYKA
TFNAPGGNDPLALDMASMGKGQIWINGEGVGRHWPGYIAQGDCSKCSYAG
TFNEKKCQTNCGQPSQRWYHVPRSWLKPSGNLLVVFEEWGGNPTGISLVR
RSRSA
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 chain6ik6 Chain F 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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PDB6ik6 Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Resolution2.791 Å
Binding residue
(original residue number in PDB)		P184 K217 N230
Binding residue
(residue number reindexed from 1)		P163 K196 N209
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6ik6, PDBe:6ik6, PDBj:6ik6
PDBsum6ik6
PubMed33011862
UniProtO81100

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