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Structure of PDB 4x1t Chain A Binding Site BS01

Receptor Information
>4x1t Chain A (length=321) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKVLILMSDTGGGHRASAEAIRAAFNQEFGDEYQVFITQPDIIISVHPLM
QHVPLRVLRSKGLLKKIVFTTVITDLSTCHPTWFHKLVTRCYCPSTEVAK
RAQKAGLETSQIKVYGLPVRPSFVKPVRPKVELRRELGMDENLPAVLLMG
GGEGMGPIEATARALADALYDKNLGEAVGQVLIICGRNKKLQSKLSSLDW
KIPVQVKGFITKMEECMGACDCIITKAGPGTIAEAMIRGLPIILNGYIAG
QEAGNVPYVVENGCGKFSKSPKEISKIVADWFGPASKELEIMSQNALRLA
KPEAVFKIVHDMHELVRKKNS
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain4x1t Chain A Residue 601 [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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PDB4x1t Structural insights and membrane binding properties of MGD1, the major galactolipid synthase in plants.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H155 R324 G355 G356 I388 F413 I414 M417 K430 G432 P433 G434 T435 E438
Binding residue
(residue number reindexed from 1)		H14 R120 G151 G152 I184 F209 I210 M213 K226 G228 P229 G230 T231 E234
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.46: monogalactosyldiacylglycerol synthase.
Gene Ontology
Molecular Function
GO:0016758 hexosyltransferase activity
Biological Process
GO:0009247 glycolipid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4x1t, PDBe:4x1t, PDBj:4x1t
PDBsum4x1t
PubMed26935252
UniProtO81770|MGDG1_ARATH Monogalactosyldiacylglycerol synthase 1, chloroplastic (Gene Name=MGD1)

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