Structure of PDB 6bni Chain A Binding Site BS01

Receptor Information
>6bni Chain A (length=502) Species: 353152 (Cryptosporidium parvum Iowa II) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHYTDNRYKMMECIKDAGRPFYPHKFKISMSLPAYALKYGNVENGYIDK
DTTLSLSGRVTSIRSSSSKLIFYDIFCEEQKVQIIANIMEHDISTGEFSV
SHSEIRRGDVVGFTGFPGKSKRGELSLFSKSVVLLSPCYHMLPTAISGLK
DQEVRYRQRYLDLMLNEESRKVFKLRSRAIKYIRNYFDRLGFLEVETPML
NMIYGGAAARPFITYHNELETQLYMRIAPELYLKQLIVGGLDKVYEIGKN
FRNEGIDLTHNPEFTAMEFYMAYADYYDLMDLTEELISGLVLEIHGSLKI
PYHPDGPEGKCIEIDFTTPWKRFSFVEEIESGLGEKLKRPLDSQENIDFM
VEMCEKHEIELPHPRTAAKLLDKLAGHFVETKCTNPSFIIDHPQTMSPLA
KWHREKPEMTERFELFVLGKELCNAYTELNEPLQQRKFFEQQADAKASGD
VEACPIDETFCLALEHGLPPTGGWGLGIDRLIMFLADKNNIKEVILFPAM
RN
Ligand information
Ligand IDLYS
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-O
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCCC[NH3+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCC[NH3+]
OpenEye OEToolkits 1.5.0C(CC[NH3+])C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCCC[NH3+])C(O)=O
OpenEye OEToolkits 1.5.0C(CC[NH3+])CC(C(=O)O)N
FormulaC6 H15 N2 O2
NameLYSINE
ChEMBL
DrugBank
ZINC
PDB chain6bni Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6bni Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and Adenosine
Resolution1.85 Å
Binding residue
(original residue number in PDB)		G249 E273 E311 Y313 N467 Y469 E471 G516 W517
Binding residue
(residue number reindexed from 1)		G206 E230 E268 Y270 N424 Y426 E428 G473 W474
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R295 E297 T302 H303 E464 N467 R523
Catalytic site (residue number reindexed from 1) R252 E254 T259 H260 E421 N424 R480
Enzyme Commision number 6.1.1.6: lysine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004824 lysine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006418 tRNA aminoacylation for protein translation
GO:0006430 lysyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6bni, PDBe:6bni, PDBj:6bni
PDBsum6bni
PubMed
UniProtQ5CR27

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