Structure of PDB 8qen Chain A Binding Site BS01

Receptor Information

>8qen Chain A (length=2363) Species: 1496 (Clostridioides difficile)

SLVNRKQLEKMANVRFRTQEDEYVAILDALEEYHNMSENTVVEKYLKLKD
INSLTDIYIDTYKKSGRNKALKKFKEYLVTEVLELKNNNLTPVEKNLHFV
WIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTVVESAIN
DTLESFRENLNDPRFDYNKFFRKRMEIIYDKQKNFINYYKAQREENPELI
IDDIVKTYLSNEYSKEIDELNTYIEESLNKITQNSGNDVRNFEEFKNGES
FNLYEQELVERWNLAAASDILRISALKEIGGMYLDVDMLPGIQPDLFESI
EKPSSVTVDFWEMTKLEAIMKYKEYIPEYTSEHFDMLDEEVQSSFESVLA
SKSDKSEIFSSLGDMEASPLEVKIAFNSKGIINQGLISVKDSYCSNLIVK
QIENRYKILNNSLNPAISEDNDFNTTTNTFIDSIMAEANADNGRFMMELG
KYLRVGFFPDVKTTINLSGPEAYAAAYQDLLMFKEGSMNIHLIEADLRNF
EISKTNISQSTEQEMASLWSFDDARAKAQFEEYKRNYFEGSLGEDDNLDF
SQNIVVDKEYLLEKISSLARSSERGYIHYIVQLQGDKISYEAACNLFAKT
PYDSVLFQKNIEDSEIAYYYNPGDGEIQEIDKYKIPSIISDRPKIKLTFI
GHGKDEFNTDIFAGFDVDSLSTEIEAAIDLAKEDISPKSIEINLLGCNMF
SYSINVEETYPGKLLLKVKDKISELMPSISQDSIIVSANQYEVRINSEGR
RELLDHSGEWINKEESIIKDISSKEYISFNPKENKITVKSKNLPELSTLL
QEIRNNSNSSDIELEEKVMLTECEINVISNIDTQIVEERIEEAKNLTSDS
INYIKDEFKLIESISDALCDLKQQNELEDSHFISFEDISETDEGFSIRFI
NKETGESIFVETEKTIFSEYANHITEEISKIKGTIFDTVNGKLVKKVNLD
TTHEVNTLNAAFFIQSLIEYNSSKESLSNLSVAMKVQVYAQLFSTGLNTI
TDAAKVVELVSTALDETIDLLPTLSEGLPIIATIIDGVSLGAAIKELSET
SDPLLRQEIEAKIGIMAVNLTTATTAIITSSLGIASGFSILLVPLAGISA
GIPSLVNNELVLRDKATKVVDYFKHVSLVETEGVFTLLDDKIMMPQDDLV
ISEIDFNNNSIVLGKCEIWRMEGGSGHTVTDDIDHFFSAPSITYREPHLS
IYDVLEVQKEELDLSKDLMVLPNAPNRVFAWETGWTPGLRSLENDGTKLL
DRIRDNYEGEFYWRYFAFIADALITTLKPRYEDTNIRINLDSNTRSFIVP
IITTEYIREKLSYSFYGSGGTYALSLSQYNMGINIELSESDVWIIDVDNV
VRDVTIESDKIKKGDLIEGILSTLSIEENKIILNSHEINFSGEVNGSNGF
VSLTFSILEGINAIIEVDLLSKSYKLLISGELKILMLNSNHIQQKIDYIG
FNSELQKNIPYSFVDSEGKENGFINGSTKEGLFVSELPDVVLISKVYMDD
SKPSFGYYSNNLKDVKVITKDNVNILTGYYLKDDIKISLSLTLQDEKTIK
LNSVHLDESGVAEILKFMNRKGNTNTSDSLMSFLESMNIKSIFVNFLQSN
IKFILDANFIISGTTSIGQFEFICDENDNIQPYFIKFNTLETNYTLYVGN
RQNMIVEPNYDLDDSGDISSTVINFSQKYLYGIDSCVNKVVISPNIYTDE
INITPVYETNNTYPEVIVLDANYINEKINVNINDLSIRYVWSNDGNDFIL
MSTSEENKVSQVKIRFVNVFKDKTLANKLSFNFSDKQDVPVSEIILSFTP
SYYEDGLIGYDLGLVSLYNEKFYINNFGMMVSGLIYINDSLYYFKPPVNN
LITGFVTVGDDKYYFNPINGGAASIGETIIDDKNYYFNQSGVLQTGVFST
EDGFKYFAPANTLDENLEGEAIDFTGKLIIDENIYYFDDNYRGAVEWKEL
DGEMHYFSPETGKAFKGLNQIGDYKYYFNSDGVMQKGFVSINDNKHYFDD
SGVMKVGYTEIDGKHFYFAENGEMQIGVFNTEDGFKYFAHHNEDLGNEEG
EEISYSGILNFNNKIYYFDDSFTAVVGWKDLEDGSKYYFDEDTAEAYIGL
SLINDGQYYFNDDGIMQVGFVTINDKVFYFSDSGIIESGVQNIDDNYFYI
DDNGIVQIGVFDTSDGYKYFAPANTVNDNIYGQAVEYSGLVRVGEDVYYF
GETYTIETGWIYDMENESDKYYFNPETKKACKGINLIDDIKYYFDEKGIM
RTGLISFENNNYYFNENGEMQFGYINIEDKMFYFGEDGVMQIGVFNTPDG
FKYFAHQNTLDENFEGESINYTGWLDLDEKRYYFTDEYIAATGSVIIDGE
EYYFDPDTAQLVI

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: 8qen Chain A Residue 2801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8qen Structural and functional insight into the interaction of Clostridioides difficile toxin B and FZD 7.
• Resolution: 3.4 Å
• Binding residue (original residue number in PDB): H653 C698 H757
• Binding residue (residue number reindexed from 1): H652 C697 H756
• 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:0046527 glucosyltransferase 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:8qen, PDBe:8qen, PDBj:8qen
• PDBsum: 8qen
• PubMed: 38308843
• UniProt: P18177|TCDB_CLODI Toxin B (Gene Name=tcdB)