Structure of PDB 8x2i Chain A Binding Site BS01

Receptor Information

>8x2i Chain A (length=2303) Species: 1292036 (Paraclostridium sordellii ATCC 9714)

MNLVNKAQLQKMAYVKFRIQEDEYVAILNALEEYHNMSESSVVEKYLKLK
DINNLTDNYLNTYKKSGRNKALKKFKEYLTMEVLELKNNSLTPVEKNLHF
IWIGGQINDTAINYINQWKDVNSDYTVKVFYDSNAFLINTLKKTIVESAT
NNTLESFRENLNDPEFDYNKFYRKRMEIIYDKQKHFIDYYKSQIEENPEF
IIDNIIKTYLSNEYSKDLEALNKYIEESLNKITANNGNDIRNLEKFADED
LVRLYNQELVERWNLAAASDILRISMLKEDGGVYLDVDMLPGIQPDLFKS
INKPDSITNTSWEMIKLEAIMKYKEYIPGYTSKNFDMLDEEVQRSFESAL
SSKSDKSEIFLPLDDIKVSPLEVKIAFANNSVINQALISLKDSYCSDLVI
NQIKNRYKILNDNLNPSINEGTDFNTTMKIFSDKLASISNEDNMMFMIKI
TNYLKVGFAPDVRSTINLSGPGVYTGAYQDLLMFKDNSTNIHLLEPELRN
FEFPKTKISQLTEQEITSLWSFNQARAKSQFEEYKKGYFEGALGEDDNLD
FAQNTVLDKDYVSKKILSSMKTRNKEYIHYIVQLQGDKISYEASCNLFSK
DPYSSILYQKNIEGSETAYYYSVADAEIKEIDKYRIPYQISNKRKIKLTF
IGHGKSEFNTDTFANLDVDSLSSEIETILNLAKADISPKYIEINLLGCNM
FSYSISAEETYPGKLLLKIKDRVSELMPSISQDSITVSANQYEVRINEEG
KREILDHSGKWINKEESIIKDISSKEYISFNPKENKIIVKSKYLHELSTL
LQEIRNNANSSDIDLEKKVMLTECEINVASNIDRQIVEGSDSINYIKNEF
KLIESISDSLYDLKHQNGLDDSHFISFEDISKTENGFRIRFINKETGNSI
FIETEKEIFSEYATHISKEISNIKDTIFVKKVNLDAAHEVNTLNSAFFIQ
SLIEYNTTKESLSNLSVAMKVQVYAQLFSTGLNTITDASKVVELVSTALD
ETIDLLPTLSTAASTAIVTSALGIASGFSILLVPLAGISAGIPSLVNNEL
ILQDKATKVIDYFKHISLAETEGAFTLLDDKIIMPQDDLVLSEIDFNNNS
ITLGKCEIWRAEGGSGHTLTDDIDHFFSSPSITYRKPWLSIYDVLNIKKE
KIDFSKDLMVLPNAPNRVFGYEMGWTPGFRSLDNDGTKLLDRIRDHYEGQ
FYWRYFAFIADALITKLKPRYEDTNVRINLDGNTRSFIVPVITTEQIRKN
LSYSFYGSGGSYSLSLSPYNMNIDLNLVENDTWVIDVDNVVKNITIESDE
IQKGELIENILSKLNIEDNKIILNNHTINFYGDINESNRFISLTFSILED
INIIIEIDLVSKSYKILLSGNCMKLIENSSDIQQKIDHIGFNGEHQKYIP
YSYIDNETKYNGFIDYSKKEGLFTAEFSNESIIRNIYMPDSNNLFIYSSK
DLKDIRIINKGDVKLLIGNYFKDDMKVSLSFTIEDTNTIKLNGVYLDENG
VAQILKFMNNAKSALNTSNSLMNFLESINIKNIFYNNLDPNIEFILDTNF
IISGSNSIGQFELICDKDKNIQPYFIKFKIKETSYTLYVGNRQNLIVEPS
YHLDDSGNISSTVINFSQKYLYGIDRYVNKVIIAPNLYTDEINITPVYKP
NYICPEVIILDANYINEKINVNINDLSIRYVWDNDGSDLILIANSEEDNQ
PQVKIRFVNVFKSDTAADKLSFNFSDKQDVSVSKIISTFSLAAYSDGFFD
YEFGLVSLDNDYFYINSFGNMVSGLIYINDSLYYFKPPKNNLITGFTTID
GNKYYFDPTKSGAASIGEITIDGKDYYFNKQGILQVGVINTSDGLKYFAP
AGTLDENLEGESVNFIGKLNIDGKIYYFEDNYRAAVEWKLLDDETYYFNP
KTGEALKGLHQIGDNKYYFDDNGIMQTGFITINDKVFYFNNDGVMQVGYI
EVNGKYFYFGKNGERQLGVFNTPDGFKFFGPKDDDLGTEEGELTLYNGIL
NFNGKIYFFDISNTAVVGWGTLDDGSTYYFDDNTAEACIGLTVINDCKYY
FDDNGIRQLGFITINDNIFYFSESGKIELGYQNINGNYFYIDESGLVLIG
VFDTPDGYKYFAPLNTVNDNIYGQAVKYSGLVRVNEDVYYFGETYKIETG
WIENETDKYYFDPETKKAYKGINVVDDIKYYFDENGIMRTGLISFENNNY
YFNEDGKMQFGYLNIKDKMFYFGKDGKMQIGVFNTPDGFKYFAHQNTLDE
NFEGESINYTGWLDLDGKRYYFTDEYIAATGSLTIDGYNYYFDPDTAELV
VSE

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: 8x2i Chain A Residue 3000

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8x2i Structural dynamics of CROPs control stability and toxicity of Paeniclostridium sordellii lethal toxin
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): D546 H653 C698 H757
• Binding residue (residue number reindexed from 1): D546 H653 C698 H757
• 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:8x2i, PDBe:8x2i, PDBj:8x2i
• PDBsum: 8x2i
• UniProt: T0D3N5|TCSL3_PARS9 Cytotoxin-L (Gene Name=tcsL)