Structure of PDB 6tw7 Chain AAA Binding Site BS03

Receptor Information
>6tw7 Chain AAA (length=411) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHAFWSTQPVPQTEDETEKIVFAGPMDEPKTVADIPEEPYPIASTFEWWT
PNMEAADDIHAIYELLRDNYVEDDDSMFRFNYSEEFLQWALCPPNYIPDW
HVAVRRKADKKLLAFIAGVPVTLRMGTPKYMKVKAQEKGEGEEAAKYDEP
RHICEINFLCVHKQLREKRLAPILIKEATRRVNRTNVWQAVYTAGVLLPT
PYASGQYFHRSLNPEKLVEIRFSGIPAQYQKFQNPMAMLKRNYQLPSAPK
NSGLREMKPSDVPQVRRILMNYLDSFDVGPVFSDAEISHYLLPRDGVVFT
YVVENDKKVTDFFSFYRIPSTVIGNSNYNLLNAAYVHYYAATSIPLHQLI
LDLLIVAHSRGFDVCNMVEILDNRSFVEQLKFGAGDGHLRYYFYNWAYPK
IKPSQVALVML
Ligand information
Ligand IDNZB
InChIInChI=1S/C23H23FN4O/c1-28(2)15-22-20-12-17(5-8-21(20)26-27-22)19-7-6-18(24)13-23(19)29-11-9-16-4-3-10-25-14-16/h3-8,10,12-14H,9,11,15H2,1-2H3,(H,26,27)
InChIKeyRNWBRNZKOWMEPZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)Cc1[nH]nc2ccc(cc12)c3ccc(F)cc3OCCc4cccnc4
OpenEye OEToolkits 2.0.7CN(C)Cc1c2cc(ccc2n[nH]1)c3ccc(cc3OCCc4cccnc4)F
FormulaC23 H23 F N4 O
Name[(5-{4-fluoro-2-[2-(pyridin-3-yl)ethoxy]phenyl}-1H-indazol-3-yl)methyl]dimethylamine;
1-[5-[4-fluoranyl-2-(2-pyridin-3-ylethoxy)phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine
ChEMBL
DrugBank
ZINC
PDB chain6tw7 Chain AAA Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tw7 Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-918
Resolution1.4 Å
Binding residue
(original residue number in PDB)		V81 E82 D83 F90 T203 Y217 N376 M377 L421
Binding residue
(residue number reindexed from 1)		V71 E72 D73 F80 T193 Y207 N366 M367 L411
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.97: glycylpeptide N-tetradecanoyltransferase.
Gene Ontology
Molecular Function
GO:0004379 glycylpeptide N-tetradecanoyltransferase activity
GO:0016746 acyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006499 N-terminal protein myristoylation
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:6tw7, PDBe:6tw7, PDBj:6tw7
PDBsum6tw7
PubMed
UniProtQ4Q5S8

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