Structure of PDB 4b4z Chain D Binding Site BS02

Receptor Information
>4b4z Chain D (length=461) Species: 72570 (Actinomadura sp. R39) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REDIDAILEDPALEGAVSGVVVVDTATGEELYSRDGGEQLLPASNMKLFT
AAAALEVLGADHSFGTEVAAESAPGRRGEVQDLYLVGRGDPTLSAEDLDA
MAAEVAASGVRTVRGDLYADDTWFDSERLVDDWWPEDEPYAYSAQISALT
VAHGERFDTGVTEVSVTPAAEGEPADVDLGAAEGYAELDNRAVTGAAGSA
NTLVIDRPVGTNTIAVTGSLPADAAPVTALRTVDEPAALAGHLFEEALES
NGVTVKGDVGLGGVPADWQDAEVLADHTSAELSEILVPFMKFSNNGHAEM
LVKSIGQETAGAGTWDAGLVGVEEALSGLGVDTAGLVLNDGSGLSRGNLV
TADTVVDLLGQAGSAPWAQTWSASLPVAGESDPFVGGTLANRMRGTAAEG
VVEAKTGTMSGVSALSGYVPGPEGELAFSIVNNGHSGPAPLAVQDAIAVR
LAEYAGHQAPE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4b4z Chain D Residue 610 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4b4z Crystal Structure of a Complex between Actinomadura R39 Dd-Peptidase and a Boronate Inhibitor
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E188 H247 E251
Binding residue
(residue number reindexed from 1)		E183 H242 E246
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.16.4: serine-type D-Ala-D-Ala carboxypeptidase.
Gene Ontology
Molecular Function
GO:0004180 carboxypeptidase activity
GO:0004185 serine-type carboxypeptidase activity
GO:0009002 serine-type D-Ala-D-Ala carboxypeptidase activity
Biological Process
GO:0000270 peptidoglycan metabolic process
GO:0006508 proteolysis
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0046677 response to antibiotic
GO:0071555 cell wall organization
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4b4z, PDBe:4b4z, PDBj:4b4z
PDBsum4b4z
PubMed
UniProtP39045|DAC_ACTSP D-alanyl-D-alanine carboxypeptidase (Gene Name=dac)

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