Structure of PDB 2os1 Chain A Binding Site BS01

Receptor Information
>2os1 Chain A (length=179) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MITMKDIIREGNPTLRAVAEEVPVPITEEDRQLGEDMLTFLKNSQDPVKA
EELQLRGGVGLAAPQLDISKRIIAVHVPSLSTVMYNPKILSHSVQDVCLG
EGEGCLSVDRDVPGYVVRHNKITVSYFDMAGEKHKVRLKNYEAIVVQHEI
DHINGIMFYDHINKENPFALKEGVLVIEL
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 chain2os1 Chain A Residue 400 [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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PDB2os1 Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G58 V59 G60 Q65 L108 E110 G111 G113 C114 L115 Y150 I153 H157 E158 H161 L188
Binding residue
(residue number reindexed from 1)		G58 V59 G60 Q65 L99 E101 G102 G104 C105 L106 Y141 I144 H148 E149 H152 L179
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G60 Q65 C114 L115 H157 E158 H161
Catalytic site (residue number reindexed from 1) G60 Q65 C105 L106 H148 E149 H152
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

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2os1, PDBe:2os1, PDBj:2os1
PDBsum2os1
PubMed
UniProtQ82ZJ0|DEF_ENTFA Peptide deformylase (Gene Name=def)

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