Structure of PDB 6jfc Chain B Binding Site BS01

Receptor Information
>6jfc Chain B (length=161) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IREILKMGDERLLRIAQPVPSELLGSEELQRLIDDMFETMHHVGGVGLAA
PQIGVDLQLVIFGFEPAVPPTILLNPRITPLDDEMEEGWEGCLSVPGLRG
AVSRHRRIRYQGLDPQGQPIDRSVEGFHARVVQHECDHLIGRLYPSRITD
FSKFGFTEVLF
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 chain6jfc Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jfc Actinonin bound crystal structure of class I type b peptide deformylase from Pseudomonas aeruginosa
Resolution2.04 Å
Binding residue
(original residue number in PDB)		G48 V49 G50 Q55 G102 C103 L104 H145 E146 H149
Binding residue
(residue number reindexed from 1)		G45 V46 G47 Q52 G91 C92 L93 H134 E135 H138
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G50 Q55 C103 L104 H145 E146 H149
Catalytic site (residue number reindexed from 1) G47 Q52 C92 L93 H134 E135 H138
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
View graph for
Biological Process
External links
PDB RCSB:6jfc, PDBe:6jfc, PDBj:6jfc
PDBsum6jfc
PubMed
UniProtA0A071LDC0

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