Structure of PDB 4ks0 Chain A Binding Site BS01

Receptor Information
>4ks0 Chain A (length=466) Species: 353153 (Trypanosoma cruzi strain CL Brener) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSQLAHNVNLSIFEPISHHRANRIVCTIGPSTQSVEALKGLIRSGMSVAR
MNFSHGSHEYHQTTINNLRAAATELGAHIGLALDTKGPEIRTYIEYPRLS
ITVRPGGFIYIDDGVLSLKVLSKEDEYTLKCYVNNAHFLTDRKGCNLPGC
EVDLPAVSEKDREDLKFGVEQGIDMVFASFIRTAEQVQEVREALGEKGKD
ILIISKIENHQGVQNIDGIIEASDGIMVARGDLGVEIPAEKVVVAQMILI
SKCNVAGKPVICATQMLESMTTNPRPTRAEVSDVANAVFNGADCVMLSGE
TAKGKYPNEVVQYMARICLEAQSATNQAVMFNSIKKMQKLPMSPEEAVCS
SAVNSVYEVRAKALLVLSNSGRSARLASKYRPDCPIICATTRMRTCRQLT
ITRSVDAVFYDAERYGEDENKEKRVQLGVDCAKKKGYVVPGDLMVVVHAD
HKVKGYPNQTRIIYVS
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4ks0 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ks0 Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E241 D265
Binding residue
(residue number reindexed from 1)		E208 D232
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R50 R91 K239 T297
Catalytic site (residue number reindexed from 1) R50 R91 K206 T264
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:0016491 oxidoreductase 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

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Cellular Component
External links
PDB RCSB:4ks0, PDBe:4ks0, PDBj:4ks0
PDBsum4ks0
PubMed26064527
UniProtQ4D9Z4

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