Structure of PDB 7pog Chain A Binding Site BS01

Receptor Information

>7pog Chain A (length=2382) Species: 1496 (Clostridioides difficile)

SLISKEELIKLAYSIRPRENEYKTILTNLDEYNKLTTNNNENKYLQLKKL
NESIDVFMNKYKNSSRNRALSNLKKDILKEVILIKNSNTSPVEKNLHFVW
IGGEVSDIALEYIKQWADINAEYNIKLWYDSEAFLVNTLKKAIVESSTTE
ALQLLEEEIQNPQFDNMKFYKKRMEFIYDRQKRFINYYKSQINKPTVPTI
DDIIKSHLVSEYNRDETLLESYRTNSLRKINSNHGIDIRANSLFTEQELL
NIYSQELLNRGNLAAASDIVRLLALKNFGGVYLDVDMLPGIHSDLFKTIP
RPSSIGLDRWEMIKLEAIMKYKKYINNYTSENFDKLDQQLKDNFKLIIES
KSEKSEIFSKLENLNVSDLEIKIAFALGSVINQALISKQGSYLTNLVIEQ
VKNRYQFLNQHLNPAIESDNNFTDTTKIFHDSLFNSATAENSMFLTKIAP
YLQVGFMPEARSTISLSGPGAYASAYYDFINLQENTIEKTLKASDLIEFK
FPENNLSQLTEQEINSLWSFDQASAKYQFEKYVRDYTGGSLSEDNGVDFN
KNTALDKNYLLNNKIPSNNVEEAGSKNYVHYIIQLQGDDISYEATCNLFS
KNPKNSIIIQRNMNESAKSYFLSDDGESILELNKYRIPERLKNKEKVKVT
FIGHGKDEFNTSEFARLSVDSLSNEISSFLDTIKLDISPKNVEVNLLGCN
MFSYDFNVEETYPGKLLLSIMDKITSTLPDVNKDSITIGANQYEVRINSE
GRKELLAHSGKWINKEEAIMSDLSSKEYIFFDSIDNKLKAKSKNIPGLAS
ISEDIKTLLLDASVSPDTKFILNNLKLNIESSIGDYIYYEKLEPVKNIIH
NSIDDLIDEFNLLENVSDELYELKKLNNLDEKYLISFEDISKNNSTYSVR
FINKSNGESVYVETEKEIFSKYSEHITKEISTIKNSIITDVNGNLLDNIQ
LDHTSQVNTLNAAFFIQSLIDYSSNKDVLNDLSTSVKVQLYAQLFSTGLN
TIYDSIQLVNLISNAVNDTINVLPTITEGIPIVSTILDGINLGAAIKELL
DEHDPLLKKELEAKVGVLAINMSLSIAATVASIVGIGAEVTIFLLPIAGI
SAGIPSLVNNELILHDKATSVVNYFNHLSESKEYGPLKTEDDKILVPIDD
LVISEIDFNNNSIKLGTCNILAMEGGSGHTVTGNIDHFFSSPYISSHIPS
LSVYSAIGIKTENLDFSKKIMMLPNAPSRVFWWETGAVPGLRSLENNGTK
LLDSIRDLYPGKFYWRFYAFFDYAITTLKPVYEDTNTKIKLDKDTRNFIM
PTITTDEIRNKLSYSFDGAGGTYSLLLSSYPISMNINLSKDDLWIFNIDN
EVREISIENGTIKKGNLIEDVLSKIDINKNKLIIGNQTIDFSGDIDNKDR
YIFLTCELDDKISLIIEINLVAKSYSLLLSGDKNYLISNLSNTIEKINTL
GLDSKNIAYNYTDESNNKYFGAISKTSQKSIIHYKKDSKNILEFYNGSTL
EFNSKDFIAEDINVFMKDDINTITGKYYVDNNTDKSIDFSISLVSKNQVK
VNGLYLNESVYSSYLDFVKNSDGHHNTSNFMNLFLNNISFWKLFGFENIN
FVIDKYFTLVGKTNLGYVEFICDNNKNIDIYFGEWKTSSSKSTIFSGNGR
NVVVEPIYNPDTGEDISTSLDFSYEPLYGIDRYINKVLIAPDLYTSLINI
NTNYYSNEYYPEIIVLNPNTFHKKVNINLDSSSFEYKWSTEGSDFILVRY
LEESNKKILQKIRIKGILSNTQSFNKMSIDFKDIKKLSLGYIMSNFKSFN
SENELDRDHLGFKIIDNKTYYYDEDSKLVKGLININNSLFYFDPIESNLV
TGWQTINGKKYYFDINTGAASTSYKIINGKHFYFNNNGVMQLGVFKGPDG
FEYFAPANTQNNNIEGQAIVYQSKFLTLNGKKYYFDNDSKAVTGWRIINN
EKYYFNPNNAIAAVGLQVIDNNKYYFNPDTAIISKGWQTVNGSRYYFDTD
TAIAFNGYKTIDGKHFYFDSDCVVKIGVFSGSNGFEYFAPANTYNNNIEG
QAIVYQSKFLTLNGKKYYFDNNSKAVTGWQTIDSKKYYFNTNTAEAATGW
QTIDGKKYYFNTNTAEAATGWQTIDGKKYYFNTNTSIASTGYTIINGKYF
YFNTDGIMQIGVFKVPNGFEYFAPANTHNNNIEGQAILYQNKFLTLNGKK
YYFGSDSKAITGWQTIDGKKYYFNPNNAIAATHLCTINNDKYYFSYDGIL
QNGYITIERNNFYFDANNESKMVTGVFKGPNGFEYFAPANTHNNNIEGQA
IVYQNKFLTLNGKKYYFDNDSKAVTGWQTIDSKKYYFNLNTAVAVTGWQT
IDGEKYYFNLNTAEAATGWQTIDGKRYYFNTN

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: 7pog Chain A Residue 3001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7pog High-resolution structure of native toxin A from Clostridioides difficile.
• Resolution: 2.83 Å
• Binding residue (original residue number in PDB): D545 H655 H759
• Binding residue (residue number reindexed from 1): D544 H654 H758
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.1.-
  3.4.22.-

Gene Ontology

Molecular Function

• GO:0008234 cysteine-type peptidase activity
• GO:0008289 lipid binding
• GO:0016757 glycosyltransferase activity
• GO:0046872 metal ion binding
• GO:0090729 toxin activity

Biological Process

• GO:0006508 proteolysis
• GO:0035821 modulation of process of another organism

Cellular Component

• GO:0005576 extracellular region
• GO:0016020 membrane
• GO:0020002 host cell plasma membrane
• GO:0030430 host cell cytoplasm
• GO:0044164 host cell cytosol
• GO:0044174 host cell endosome
• GO:0044175 host cell endosome membrane

External links

• PDB: RCSB:7pog, PDBe:7pog, PDBj:7pog
• PDBsum: 7pog
• PubMed: 34817920
• UniProt: P16154|TCDA_CLODI Toxin A (Gene Name=tcdA)