Structure of PDB 7ufp Chain I Binding Site BS01

Receptor Information
>7ufp Chain I (length=469) Species: 523846 (Methanothermus fervidus DSM 2088) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AASPAGSHMRLSELASYVSGKLIGEDKEIKVGIFNTLGDANPNDIVIRHW
IDEKGVEIAKNKEVSALITQNPKGNSLEYAKKLKVPIILVNKIELASAFA
IKWTIKNFAPNTYRVVITGTNGKSTTTHMIYHILTHAGKKAFTNTDAMVA
KLLAEKAKKENLEYLVIEVSEVDRLMKDHAYLMTKSINPNVVVVTNVALD
HIGLVNSIEEVFEETSGAVKALEKGFAVLNYDNEFTRKMAKLTNKNVKVF
FYGKNCPVTFKSGGIYVNNDLFIKKEELPFKSEYFIQNTLAAISACLCLN
IPPDIIKKGILTYKPLKRRFSILCKKPLIIDDFAHNPDGIKMAIKSAKKL
TKNKLWVVCAIRGSRGKIINKLNAESLSKTLKNIENYEVVITNSDDVVDN
LNKVKKEEEKTFLKTLEKYNINYRFHKKLKTALEETLTNCKKDDTILLIG
AQGMDPASKLLKKIKVIPC
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 chain7ufp Chain I Residue 501 [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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PDB7ufp Structural characterisation of methanogen pseudomurein cell wall peptide ligases homologous to bacterial MurE/F murein peptide ligases.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		L29 G30 R40 I43 D44 K46 G47 I50
Binding residue
(residue number reindexed from 1)		L37 G38 R48 I51 D52 K54 G55 I58
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
Biological Process
GO:0009058 biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7ufp, PDBe:7ufp, PDBj:7ufp
PDBsum7ufp
PubMed36178458
UniProtE3GZ29

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