Structure of PDB 4drs Chain A Binding Site BS04

Receptor Information
>4drs Chain A (length=485) Species: 353152 (Cryptosporidium parvum Iowa II) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KATCLGMDKITQRKTQIICTIGPSCNNVESLIGLIDKGMSVARLNFSHGD
HESHFKTLQNIREAAKARPHSTVGIMLDTKGPEIRTGMLEGGKPIELKAG
QTLKITTDYSMLGNSECISCSYSLLPKSVQIGSTVLIADGSLSTQVLEIG
DDFIVCKVLNSVTIGERKNMNLPGCKVHLPIIGDKDRHDIVDFALKYNLD
FIALSFVQNGADVQLCRQIISENTQYSNGIPSSIKIISKIENLEGVINFD
SICSESDGIMVARGDLGMEIPPEKIFVAQKCMISKCNVAGKPVVTATQML
ESMIKSNRPTRAEMTDVANAVLDGSDCVMLSGETANGAFPFDAVNVMSRV
CAQAETCIDYPVLYHAIHSSVPKPVAVPEAIACSAVESAHDVNAKLIITI
TETGNTARLISKYRPSQTIIACTAKPEVARGLKIARGVKTYVLNSIHHSE
VVISNALALAKEESLIESGDFAIAVHNLMKIVRCP
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain4drs Chain A Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4drs Crystal structure of Cryptosporidium parvum pyruvate kinase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N229 P457 E458 R461
Binding residue
(residue number reindexed from 1)		N198 P426 E427 R430
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R74 R116 K270 T328
Catalytic site (residue number reindexed from 1) R43 R85 K239 T297
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4drs, PDBe:4drs, PDBj:4drs
PDBsum4drs
PubMed23056503
UniProtQ5CSM7

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