Structure of PDB 1zjp Chain A Binding Site BS02

Receptor Information
>1zjp Chain A (length=261) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSLPRMVYPQPKVLTPCRKDVLVVTPWLAPIVWEGTFNIDILNEQFRLQN
TTIGLTVFAIKKYVAFLKLFLETAEKHFMVGHRVHYYVFTDQPAAVPRVT
LGTGRQLSVLEVERRFLSEVDYLVCVDVDMEFRDHVGVEILTPLFGTLHP
SFYGSSREAFTYERRPQSQAYIPKDEGDFYYMGAFFGGSVQEVQRLTRAC
HQAMMVDQANGIEAVWHDESHLNKYLLRHKPTKVLSPEYLWDQQLLGWPA
VLRKLRFTAVP
Ligand information
Ligand IDDR4
InChIInChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13+,14+,15-,16-/m1/s1
InChIKeyZJZBQHWSENWEMY-DZQJYWQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(OC)CCCCCCCCOC1OC(C(O)C(O)C1O)CO
OpenEye OEToolkits 1.5.0COC(=O)CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
CACTVS 3.341COC(=O)CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
CACTVS 3.341COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
FormulaC16 H30 O8
NameMETHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATE;
GALACTOSE GREASE
ChEMBL
DrugBankDB04680
ZINCZINC000012504461
PDB chain1zjp Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1zjp Differential Recognition of the Type I and II H Antigen Acceptors by the Human ABO(H) Blood Group A and B Glycosyltransferases.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		M214 H233 P234 S235 F236 T245 M266 W300 E303 W325 A343
Binding residue
(residue number reindexed from 1)		M130 H149 P150 S151 F152 T161 M182 W216 E219 W241 A259
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H233 M266 W300 E303 A343
Catalytic site (residue number reindexed from 1) H149 M182 W216 E219 A259
Enzyme Commision number 2.4.1.37: fucosylgalactoside 3-alpha-galactosyltransferase.
2.4.1.40: glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase.
Gene Ontology
Molecular Function
GO:0016758 hexosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1zjp, PDBe:1zjp, PDBj:1zjp
PDBsum1zjp
PubMed16326711
UniProtP16442|BGAT_HUMAN Histo-blood group ABO system transferase (Gene Name=ABO)

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