Structure of PDB 5nj5 Chain A Binding Site BS01

Receptor Information

>5nj5 Chain A (length=480) Species: 511145 (Escherichia coli str. K-12 substr. MG1655)

SLNLVSEQLLAANGLKHQDLFAILGQLAERRLDYGDLYFQSSYHESWVLE
DRIIKDGSYNIDQGVGVRAISGEKTGFAYADQISLLALEQSAQAARTIVR
DSGDGKVQTLGAVEHSPLYTSVDPLQSMSREEKLDILRRVDKVAREADKR
VQEVTASLSGVYELILVAATDGTLAADVRPLVRLSVSVLVEEDGKRERGA
SGGGGRFGYEFFLADLDGEVRADAWAKEAVRMALVNLSAVAAPAGTMPVV
LGAGWPGVLLHEAVGHGLEGDFNRRGTSVFSGQVGELVASELCTVVDDGT
MVDRRGSVAIDDEGTPGQYNVLIENGILKGYMQDKLNARLMGMTPTGNGR
RESYAHLPMPRMTNTYMLPGKSTPQEIIESVEYGIYAPNFGGGQVDITSD
KFVFSTSEAYLIENGKVTKPVKGATLIGSGIETMQQISMVGNDLKLDNGV
GVCGKEGQSLPVGVGQPTLKVDNLTVGGTA

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 5nj5 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5nj5 The Origins of Specificity in the Microcin-Processing Protease TldD/E.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): H262 H267 C454
• Binding residue (residue number reindexed from 1): H261 H266 C453
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.-.-

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0005515 protein binding
• GO:0008237 metallopeptidase activity
• GO:0008270 zinc ion binding

Biological Process

• GO:0006508 proteolysis
• GO:0016485 protein processing

Cellular Component

• GO:0005829 cytosol
• GO:1905368 peptidase complex

External links

• PDB: RCSB:5nj5, PDBe:5nj5, PDBj:5nj5
• PDBsum: 5nj5
• PubMed: 28943336
• UniProt: P0AGG8|TLDD_ECOLI Metalloprotease TldD (Gene Name=tldD)