Structure of PDB 3hko Chain A Binding Site BS01

Receptor Information
>3hko Chain A (length=319) Species: 353152 (Cryptosporidium parvum Iowa II) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LYFQGGSLLELQKKYHLKGAIGQGSYGVVRVAIENQTRAIRAIKIMNKNK
IRQKDVERIKTEVRLMKKLHHPNIARLYEVYEDEQYICLVMELCHGGHLL
DKLNVFIDDSTGKCAMDVVKTQICPCPECNEEAINGSIFRESLDFVQREK
LISNIMRQIFSALHYLHNQGICHRDIKPENFLFSTNKSFEIKLVDFGLSK
EFYKLNNGAGTPYFVAPEVLNTTNESYGPKCDAWSAGVLLHLLLMGAVPF
PGVNDADTISQVLNKKLCFENPNYNVLSPLARDLLSNLLNRNVDERFDAM
RALQHPWISQFSDKIYKMS
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3hko Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hko Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40
Resolution1.8 Å
Binding residue
(original residue number in PDB)
H93 C122 C124 C127
Binding residue
(residue number reindexed from 1)
H95 C124 C126 C129
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D175 K177 N180 D195 T219
Catalytic site (residue number reindexed from 1) D175 K177 N180 D195 T211
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function

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Biological Process
External links
PDB RCSB:3hko, PDBe:3hko, PDBj:3hko
PDBsum3hko
PubMed
UniProtQ5CZ29

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