Structure of PDB 7exq Chain B Binding Site BS01

Receptor Information
>7exq Chain B (length=718) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAVRISDGNLIIKNRTILTGVPDNVITTSASEAGPVEGVFVGAVFNKEES
KHIVPIGTLRNSRFMSCFRFKLWWMAQRMGEMGRDIPYETQFLLVESNKV
YTVFLPLIEGSFRSCLQGNVNDEVELCLESGDVDTKRSSFTHSLYIHAGT
DPFQTITDAIRTVKLHLNSFRQRHEKKLPGIVDYFGWCTWDAFYQEVTQE
GVEAGLKSLAAGGTPPKFVIIDDGWQSVERDASPIFRLTGIKENEKFKKK
DDPNVGIKNIVKIAKEKHGLRYVYVWHAITGYWGGVRPGEEYGSVMKYPN
MSKGVVENDPTWKTDVMTLQGLGLVSPKKVYKFYNELHSYLADAGVDGVK
VAVQCVLETLGGGLGGRVELTRQFHQALDSSVAKNFPDNGCIACMSHNTD
ALYCSKQAAVIRASDDFYPRDPVSHTIHIASVAYNSVFLGEFMQPDWDMF
HSVHPAAEYHASARAISGGPLYVSDSPGKHNFELLRKLVLPDGSILRARL
PGRPTRDCLFADPARDGVSLLKIWNMNKYTGVLGVYNCQGAAWSSTERKN
IFHQTKTDSLTGSIRGRDVHSISEASTDPTTWNGDCAVYSQSRGELIVMP
YNVSLPVSLKIREHEIFTVSPISHLVDGVSFAPIGLVNMYNSGGAIEGLR
YEAEKMKVVMEVKGCGKFGSYSSVKPKRCVVESNEIAFEYDSSSGLVTFE
LDKMPIENKRFHLIQVEL
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 chain7exq Chain B Residue 801 [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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PDB7exq Structural insight into the hydrolase and synthase activities of an alkaline alpha-galactosidase from Arabidopsis from complexes with substrate/product.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		W211 D243 D244 W307 W314 K381 M426 R443 D447
Binding residue
(residue number reindexed from 1)		W190 D222 D223 W276 W283 K350 M395 R412 D416
Annotation score2
Enzymatic activity
Enzyme Commision number 2.4.1.82: galactinol--sucrose galactosyltransferase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0047274 galactinol-sucrose galactosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7exq, PDBe:7exq, PDBj:7exq
PDBsum7exq
PubMed36762861
UniProtQ8RX87|RFS6_ARATH Probable galactinol--sucrose galactosyltransferase 6 (Gene Name=RFS6)

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