Structure of PDB 3ce2 Chain A Binding Site BS02

Receptor Information

>3ce2 Chain A (length=595) Species: 218497 (Chlamydia abortus S26/3)

QVRPRSEISPQDCWDITPLYLNRKAWKADLDSFGLKSPTWPALQATQYQL
DNSESLLSLLTTLFSIERKLNKLYVYAHLTHDQDITNQEGIADLKSITHL
HTLFAEETSWVQPALTSLSESLIAQHLSAPCLAPYRFYLEKIFRLSIHTG
TPGEEKILASAFTPLEVASKAFSSLSDSEIPFGQATDSEGNSHPLSHALA
SLYMQSTDRELRKTSYLAQCERYHSYRHTFANLLNGKIQAHVFYAKNKRY
NSCLQAALYHNNIPTTVYTNLIDIVKKNSSLITKYFSIKQRCLNLKDFHF
YDVYAPLSQEKKYTFQEAVDLIYTSLSPLGTEYIDTLKQGLTTQGWVDKY
ENLNKRSGAYSSGCYDSHPYVLLNYTGTLYDVSVIAHEGGHSMHSYFSRK
HQPFHDAQYPIFLAEIASTLNEMLLMDSMLKESDSKEEKITILTRCLDTI
FSTLFRQVLFASFEYDIHHAAEHGVPLTEEYLSSTYKNLQNEFYGEIITF
DVLSNIEWARIPHFYYNFYVYQYATGIIAALCFLEKILNNEDNALNSYLN
FLKSGGSDFPLEILKKSGLDMGTVEPIQKAFCFIEKKIQELSSLI

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: 3ce2 Chain A Residue 703

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ce2 Crystal structure of putative peptidase from Chlamydophila abortus.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): H400 H404 E428
• Binding residue (residue number reindexed from 1): H387 H391 E415
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.24.-

Gene Ontology

Molecular Function

• GO:0004222 metalloendopeptidase activity
• GO:0008237 metallopeptidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis
• GO:0006518 peptide metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3ce2, PDBe:3ce2, PDBj:3ce2
• PDBsum: 3ce2
• UniProt: Q5L5N2