Structure of PDB 6ck7 Chain C Binding Site BS02

Receptor Information
>6ck7 Chain C (length=172) Species: 446 (Legionella pneumophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHMAIRKILYLPDERLRKIAKPVETFDESLQTLINDMFDTMYDARGVGLA
APQIGVSLRLSVIDIVGDKKEQIVIVNPEIVSSHGEKEFEEGCLSVPGAY
DTVVRAEKVTVKALDRFGKPFEITGEGLLAECLQHEIDHMNGKLFVDMLS
PLKRMMARRKLDKFKRLQARKP
Ligand information
Ligand IDBB2
InChIInChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
InChIKeyXJLATMLVMSFZBN-VYDXJSESSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCC[CH](CC(=O)NO)C(=O)N[CH](C(C)C)C(=O)N1CCC[CH]1CO
OpenEye OEToolkits 1.5.0CCCCCC(CC(=O)NO)C(=O)NC(C(C)C)C(=O)N1CCCC1CO
ACDLabs 10.04O=C(N1C(CO)CCC1)C(NC(=O)C(CC(=O)NO)CCCCC)C(C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
FormulaC19 H35 N3 O5
NameACTINONIN;
2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEPTANOIC ACID [1-(2-HYDROXYMETHYL-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-AMIDE
ChEMBLCHEMBL308333
DrugBankDB04310
ZINCZINC000003979014
PDB chain6ck7 Chain C Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ck7 Crystal structure of a peptide deformylase from Legionella pneumophila bound to actinonin
Resolution1.65 Å
Binding residue
(original residue number in PDB)		G44 V45 G46 Q51 G90 C91 L92 E129 C130 H133 E134 H137
Binding residue
(residue number reindexed from 1)		G46 V47 G48 Q53 G92 C93 L94 E131 C132 H135 E136 H139
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G46 Q51 C91 L92 H133 E134 H137
Catalytic site (residue number reindexed from 1) G48 Q53 C93 L94 H135 E136 H139
Enzyme Commision number 3.5.1.88: peptide deformylase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0042586 peptide deformylase activity
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0018206 peptidyl-methionine modification

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6ck7, PDBe:6ck7, PDBj:6ck7
PDBsum6ck7
PubMed
UniProtQ5ZSC4

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