Structure of PDB 6jbw Chain A Binding Site BS01

Receptor Information
>6jbw Chain A (length=457) Species: 242507 (Pyricularia oryzae 70-15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLLLISNRLPITIKRSMSSGGLVTGLSGLAKTTSFQWYGWPGLEVPDAEA
GPVVQRLKNEYGAHPVFVDDELADRHYNGFANSILWPLFHYHPGEITFDE
SAWSAYKEVNRLFAQTVVKDVQDGDMIWVHDYHLMLLPEMLREEIGDSKK
NVKIGFFLHTPFPSSEIYRILPVRQALLQGVLHCDLLGFHTYDYARHFLS
SCSRILSAPTTPNGVQFAGRFVTVGAFPIGIDPEKFVEGLQKPKVQQRIA
ALTRKFEGVKLIVGVDRLDYIKGVPQKLHALEVFLTEHPEWIGKIVLVQV
AVPSRQDVEEYQNLRAVVNELVGRINGKFGTIEFMPIHFLHQSVSFDELA
ALYAVSDVCLVSSTRDGMNLVSYEYIATQRDRHGVMILSEFTGAAQSLSG
SLIVNPWNTEELANAIHDAVTMGPEQREANFKKLERYVFKYTSAWWGSSF
VAELNRL
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 chain6jbw Chain A Residue 901 [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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PDB6jbw Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		R289 K294 V324 S365 V366 L392 V393 E396
Binding residue
(residue number reindexed from 1)		R267 K272 V302 S343 V344 L370 V371 E374
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.15: alpha,alpha-trehalose-phosphate synthase (UDP-forming).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003825 alpha,alpha-trehalose-phosphate synthase (UDP-forming) activity
Biological Process
GO:0005992 trehalose biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6jbw, PDBe:6jbw, PDBj:6jbw
PDBsum6jbw
PubMed31455720
UniProtG4NHF4

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