Structure of PDB 1fgg Chain A Binding Site BS01

Receptor Information
>1fgg Chain A (length=250) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTIYVVTPTYARLVQKAELVRLSQTLSLVPRLHWLLVEDAEGPTPLVSGL
LAASGLLFTHLVVLTPWVHPRGVEQRNKALDWLRGRGGAVGGEKDPPPPG
TQGVVYFADDDNTYSRELFEEMRWTRGVSVWPVGLVGGLRFEGPQVQDGR
VVGFHTAWEPSRPFPVDMAGFAVALPLLLDKPNAQFDSTAPRGHLESSLL
SHLVDPKDLEPRAANCTRVLVWHTRTEKPKMKQEEQLQRQGRGSDPAIEV
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 chain1fgg Chain C 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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PDB1fgg Heparan/chondroitin sulfate biosynthesis. Structure and mechanism of human glucuronyltransferase I.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G222 W243
Binding residue
(residue number reindexed from 1)		G137 W158
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D196 E281
Catalytic site (residue number reindexed from 1) D111 E196
Enzyme Commision number 2.4.1.135: galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase.
Gene Ontology
Molecular Function
GO:0015018 galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:1fgg, PDBe:1fgg, PDBj:1fgg
PDBsum1fgg
PubMed10946001
UniProtO94766|B3GA3_HUMAN Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 3 (Gene Name=B3GAT3)

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