Structure of PDB 6jbr Chain M Binding Site BS03

Receptor Information
>6jbr Chain M (length=465) Species: 242507 (Pyricularia oryzae 70-15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLLLISNRLPITIKRSDDGQYSFSMSSGGLVTGLSGLAKTTSFQWYGWPG
LEVPDAEAGPVVQRLKNEYGAHPVFVDDELADRHYNGFANSILWPLFHYH
PGEITFDESAWSAYKEVNRLFAQTVVKDVQDGDMIWVHDYHLMLLPEMLR
EEIGDSKKNVKIGFFLHTPFPSSEIYRILPVRQALLQGVLHCDLLGFHTY
DYARHFLSSCSRILSAPTTPNGVQFAGRFVTVGAFPIGIDPEKFVEGLQK
PKVQQRIAALTRKFEGVKLIVGVDRLDYIKGVPQKLHALEVFLTEHPEWI
GKIVLVQVAVPSRQDVEEYQNLRAVVNELVGRINGKFGTIEFMPIHFLHQ
SVSFDELAALYAVSDVCLVSSTRDGMNLVSYEYIATQRDRHGVMILSEFT
GAAQSLSGSLIVNPWNTEELANAIHDAVTMGPEQREANFKKLERYVFKYT
SAWWGSSFVAELNRL
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 chain6jbr Chain M Residue 502 [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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PDB6jbr Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		S41 G42 G43 T46 R289 K294 V324 S365 L392 V393 E396
Binding residue
(residue number reindexed from 1)		S27 G28 G29 T32 R275 K280 V310 S351 L378 V379 E382
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:6jbr, PDBe:6jbr, PDBj:6jbr
PDBsum6jbr
PubMed31455720
UniProtG4NHF4

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