Structure of PDB 3cmd Chain A Binding Site BS01

Receptor Information

>3cmd Chain A (length=186) Species: 1352 (Enterococcus faecium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LVPGRHMMITMDDIIREGNPTLREVAKEVSLPLSEEDISLGKEMLEFLKN
SQDPIKAEELHLRGGVGLAAPQLDISKRIIAVHVPSSLSTVMYNPKILSH
SVQDACLGEGEGCLSVDREVPGYVVRHAKITVSYYDMNGEKHKIRLKNYE
SIVVQHEIDHINGVMFYDHINDQNPFALKEGVLVIE

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

3cmd Chain A Residue 188 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3cmd Insight into the antibacterial drug design and architectural mechanism of peptide recognition from the E. faecium peptide deformylase structure.
Resolution	2.7 Å
Binding residue (original residue number in PDB)	C114 H157 H161
Binding residue (residue number reindexed from 1)	C113 H156 H160
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	G60 Q65 C114 L115 H157 E158 H161
Catalytic site (residue number reindexed from 1)	G67 Q72 C113 L114 H156 E157 H160
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:3cmd, PDBe:3cmd, PDBj:3cmd
PDBsum	3cmd
PubMed	18831047
UniProt	Q842S4

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