Structure of PDB 8iat Chain D Binding Site BS02

Receptor Information
>8iat Chain D (length=500) Species: 171101 (Streptococcus pneumoniae R6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKRVKIVATLGPAVEIRGGKKFGEDGYWGEKLDVEASAKNIAKLIEAGA
NTFRFNFSHGDHQEQGERMATVKLAEKIAGKKVGFLLDTKGPEIRTELFE
GEAKEYSYKTGEKIRVATKQGIKSTREVIALNVAGALDIYDDVEVGRQVL
VDDGKLGLRVVAKDDATREFEVEVENDGIIAKQKGVNIPNTKIPFPALAE
RDNDDIRFGLEQGINFIAISFVRTAKDVNEVRAICEETGNGHVQLFAKIE
NQQGIDNLDEIIEAADGIMIARGDMGIEVPFEMVPVYQKMIIKKVNAAGK
VVITATNMLETMTEKPRATRSEVSDVFNAVIDGTDATMLSGESANGKYPL
ESVTTMATIDKNAQALLNEYGRLDSDSFERNSKTEVMASAVKDATSSMDI
KLVVTLTKTGHTARLISKYRPNADILALTFDELTERGLMLNWGVIPMLTD
APSSTDDMFEIAERKAVEAGLVESGDDIVIVAGVPVGEAVRTNTMRIRTV
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 chain8iat Chain D Residue 602 [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]
PDB8iat Functional and structural characterization of Streptococcus pneumoniae pyruvate kinase involved in fosfomycin resistance.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T407 T409 H411 T412 T492
Binding residue
(residue number reindexed from 1)		T407 T409 H411 T412 T492
Annotation score2
Enzymatic activity
Enzyme Commision number 2.7.1.40: pyruvate kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004743 pyruvate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0030955 potassium ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006096 glycolytic process
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:8iat, PDBe:8iat, PDBj:8iat
PDBsum8iat
PubMed37286036
UniProtQ8DQ84

[Back to BioLiP]