Structure of PDB 6ik8 Chain A Binding Site BS02

Receptor Information
>6ik8 Chain A (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 chain6ik8 Chain A Residue 806 [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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PDB6ik8 Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G183 P184 K217 E219
Binding residue
(residue number reindexed from 1)		G162 P163 K196 E198
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:6ik8, PDBe:6ik8, PDBj:6ik8
PDBsum6ik8
PubMed33011862
UniProtO81100

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