Structure of PDB 3e3u Chain A

Receptor sequence

>3e3uA (length=196) Species: 1773 (Mycobacterium tuberculosis)

AVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVG
LAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDT
DDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETG
HLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH

3D structure

• PDB: 3e3u Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results.
• Chain: A
• Resolution: 1.56 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): G51 Q56 C106 L107 H148 E149 H152
• Catalytic site (residue number reindexed from 1): G50 Q55 C105 L106 H147 E148 H151
• Enzyme Commision number: 3.5.1.88: peptide deformylase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	NVC	A	G49 V50 G51 Q56 G105 C106 L107 L141 H148 E149 H152 F195	G48 V49 G50 Q55 G104 C105 L106 L140 H147 E148 H151 F194	MOAD: ic50=0.013uM PDBbind-CN: -logKd/Ki=7.89,IC50=13nM BindingDB: IC50=13nM
BS02	NVC	A	V4 P5 Q35 T39	V3 P4 Q34 T38	MOAD: ic50=0.013uM PDBbind-CN: -logKd/Ki=7.89,IC50=13nM BindingDB: IC50=13nM
BS03	NVC	A	V13 T19 C59 S60	V12 T18 C58 S59	MOAD: ic50=0.013uM PDBbind-CN: -logKd/Ki=7.89,IC50=13nM BindingDB: IC50=13nM

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0042586 peptide deformylase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006412 translation
• GO:0043686 co-translational protein modification

External links

• PDB: RCSB:3e3u, PDBe:3e3u, PDBj:3e3u
• PDBsum: 3e3u
• PubMed: 19008098
• UniProt: P9WIJ3|DEF_MYCTU Peptide deformylase (Gene Name=def)