Structure of PDB 2hwg Chain B Binding Site BS02

Receptor Information
>2hwg Chain B (length=572) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISGILASPGIAFGKALLLKEDEIVIDRKKISADQVDQEVERFLSGRAKAS
AQLETIKTKAGETFGEEKEAIFEGHIMLLEDEELEQEIIALIKDKHMTAD
AAAHEVIEGQASALEELDDEYLKERAADVRDIGKRLLRNILGLKIIDLSA
IQDEVILVAADLTPSETAQLNLKKVLGFITDAGGRTSHTSIMARSLELPA
IVGTGSVTSQVKNDDYLILDAVNNQVYVNPTNEVIDKMRAVQEQVASEKA
ELAKLKDLPAITLDGHQVEVCANIGTVRDVEGAERNGAEGVGLYRTEFLF
MDRDALPTEEEQFAAYKAVAEACGSQAVIVRTMDIGGDKELPYMNFPKEE
NPFLGWRAIRIAMDRREILRDQLRAILRASAFGKLRIMFPMIISVEEVRA
LRKEIEIYKQELRDEGKAFDESIEIGVMVETPAAATIARHLAKEVDFFSI
GTNDLTQYTLAVDRGNDMISHLYQPMSPSVLNLIKQVIDASHAEGKWTGM
CGELAGDERATLLLLGMGLDEFSMSAISIPRIKKIIRNTNFEDAKVLAEQ
ALAQPTTDELMTLVNKFIEEKT
Ligand information
Ligand IDOXL
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)[O-])[O-]
FormulaC2 O4
NameOXALATE ION
ChEMBL
DrugBank
ZINC
PDB chain2hwg Chain B Residue 904 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2hwg Structure of phosphorylated enzyme I, the phosphoenolpyruvate:sugar phosphotransferase system sugar translocation signal protein.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H189 R332 M429 E431 G452 N454 D455
Binding residue
(residue number reindexed from 1)		H188 R331 M428 E430 G451 N453 D454
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) P9 A104 H189 E431 S450 D455 C502 E522
Catalytic site (residue number reindexed from 1) P8 A103 H188 E430 S449 D454 C501 E521
Enzyme Commision number 2.7.3.9: phosphoenolpyruvate--protein phosphotransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0008965 phosphoenolpyruvate-protein phosphotransferase activity
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0009401 phosphoenolpyruvate-dependent sugar phosphotransferase system
GO:0016310 phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2hwg, PDBe:2hwg, PDBj:2hwg
PDBsum2hwg
PubMed17053069
UniProtP08839|PT1_ECOLI Phosphoenolpyruvate-protein phosphotransferase (Gene Name=ptsI)

[Back to BioLiP]