Structure of PDB 2os3 Chain A Binding Site BS02

Receptor Information
>2os3 Chain A (length=205) Species: 160490 (Streptococcus pyogenes M1 GAS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAQDKLIKPSHLITMDDIIREGNPTLRAVAKEVSLPLCDEDILLGEKMMQ
FLKHSQDPVMAEKLGLRAGVGLAAPQIDVSKRIIAVLVPNLPDKEGNPPK
EAYSWQEVLYNPKIVSHSVQDAALSDGEGCLSVDRVVEGYVVRHARVTVD
YYDKEGQQHRIKLKGYNAIVVQHEIDHINGVLFYDRINAKNPFETKEELL
ILDLE
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 chain2os3 Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2os3 Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
Resolution2.26 Å
Binding residue
(original residue number in PDB)
G70 V71 G72 Q77 L125 E129 G130 C131 L132 Y167 I170 H174 E175 H178
Binding residue
(residue number reindexed from 1)
G69 V70 G71 Q76 L124 E128 G129 C130 L131 Y166 I169 H173 E174 H177
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G72 Q77 C131 L132 H174 E175 H178
Catalytic site (residue number reindexed from 1) G71 Q76 C130 L131 H173 E174 H177
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

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Biological Process
External links
PDB RCSB:2os3, PDBe:2os3, PDBj:2os3
PDBsum2os3
PubMed
UniProtP68771|DEF_STRP1 Peptide deformylase (Gene Name=def)

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