Structure of PDB 5xio Chain B Binding Site BS01

Receptor Information
>5xio Chain B (length=471) Species: 353152 (Cryptosporidium parvum Iowa II) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGITADKITSFADWYSQVIVKSEMIEYYDISGCYILRPWSYFIWETIQSV
FDQKIKQHDVQNAYFPIFVTQKKLETEFSPEVAWVTKSGKSDLAEPIAIR
PTSETIMYPYFAKWIRSHRDLPLKINQWTSIVRWEFKHPTPFIRTREFLW
QEGHTAHSTRKEALEMVDIILNEYASIYEDLLATPVVKGTKSENEKFPGG
DITKSIEGFIPEIGRAVQAATSHLLGQNFSKMFGVEFEDEKGNKEYAHQT
SWGLTTRAIGVMIMTHGDNKGLVLPPKVAPVQVIIIPIQKKICNEVECIL
KKAGVRVKIDDRSNYTPGWKYNHWEVKGVCLRFEVGPRDIEKRSVRVVVR
DNMEKMDIPISELESKIPKLLEEFQNRLLFKAKQRQNESIIRVDTFDKVM
DTLNQKKMVIAPWCEDVSCEEEIKKETARLSGAMKSLCIPNDQIFKIEEG
KTKCFFCDKLAKKFTLFGRSY
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 chain5xio Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xio Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Resolution2.46 Å
Binding residue
(original residue number in PDB)		C652 C657 C702 C705
Binding residue
(residue number reindexed from 1)		C414 C419 C454 C457
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.15: proline--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004827 proline-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006418 tRNA aminoacylation for protein translation
GO:0006433 prolyl-tRNA aminoacylation
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:5xio, PDBe:5xio, PDBj:5xio
PDBsum5xio
PubMed28867614
UniProtQ5CWN3

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