Structure of PDB 7zog Chain D Binding Site BS01

Receptor Information
>7zog Chain D (length=495) Species: 353152 (Cryptosporidium parvum Iowa II) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHYTDNRYKMMECIKDAGRPFYPHKFKISMSLPAYALKYGNVENGYIDKD
TTLSLSGRVTSIRSSSSKLIFYDIFCEEQKVQIIANIMEHDISTGEFSVS
HSEIRRGDVVGFTGFPGKSKRGELSLFSKSVVLLSPCYHMLPTAIQEVRY
RQRYLDLMLNEESRKVFKLRSRAIKYIRNYFDRLGFLEVETPMLNMIYGG
AAARPFITYHNELETQLYMRIATELYLKQLIVGGLDKVYEIGKVFRNEGI
DLTHNPEFTSMEFYMAYADYYDLMDLTEELISGLVLEIHGSLKIPYHPDG
PEGKCIEIDFTTPWKRFSFVEEIESGLGEKLKRPLDSQENIDFMVEMCEK
HEIELPHPRTAAKLLDKLAGHFVETKCTNPSFIIDHPQTMSPLAKWHREK
PEMTERFELFVLGKELCNAYTELNEPLQQRKFFEQQADAKASGDVEACPI
DETFCLALEHGLPPTGGWGLGIDRLIMFLADKNNIKEVILFPAMR
Ligand information
Ligand IDJE5
InChIInChI=1S/C32H39FN6O9S/c33-24-18-26-28(40)20-29(32(42)36-21-22-4-2-1-3-5-22)48-30(26)27(19-24)38-49(43,44)25-8-6-23(7-9-25)31(41)35-10-12-45-14-16-47-17-15-46-13-11-37-39-34/h6-9,18-20,22,34,38H,1-5,10-17,21H2,(H-,35,36,41,42)/p+1
InChIKeyZRZFXVZOMQBHDA-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.385Fc1cc(N[S](=O)(=O)c2ccc(cc2)C(=O)NCCOCCOCCOCCN=[N+]=N)c3OC(=CC(=O)c3c1)C(=O)NCC4CCCCC4
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)NCCOCCOCCOCCN=[N+]=N)S(=O)(=O)Nc2cc(cc3c2OC(=CC3=O)C(=O)NCC4CCCCC4)F
FormulaC32 H40 F N6 O9 S
Name8-[[4-[2-[2-[2-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]sulfonylamino]-~{N}-(cyclohexylmethyl)-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7zog Chain D Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zog Toolkit of Approaches To Support Target-Focused Drug Discovery for Plasmodium falciparum Lysyl tRNA Synthetase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R253 R295 E297 G298 H303 N304 F307 G518 R523
Binding residue
(residue number reindexed from 1)		R204 R246 E248 G249 H254 N255 F258 G469 R474
Annotation score1
Enzymatic activity
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7zog, PDBe:7zog, PDBj:7zog
PDBsum7zog
PubMed36037410
UniProtQ5CR27

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