Structure of PDB 8y9b Chain B Binding Site BS01

Receptor Information
>8y9b Chain B (length=1607) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLVNRKQLEKMANVRFRTQEDEYVAILDALEEYHNMSENTVVEKYLKLKD
INSLTDIYIDTYKKSGRNKALKKFKEYLVTEVLELKNNNLTPVEKNLHFV
WIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTVVESAIN
DTLESFRENLNDPRFDYNKFFRKRMEIIYDKQKNFINYYKAQREENPELI
IDDIVKTYLSNEYSKEIDELNTYIEESLNKITQNSGNDVRNFEEFKNGES
FNLYEQELVERWNLAAASDILRISALKEIGGMYLDVDMLPGIQPDLFESI
EKPSSVTVDFWEMTKLEAIMKYKEYIPEYTSEHFDMLDEEVQSSFESVLA
SKSDKSEIFSSLGDMEASPLEVKIAFNSKGIINQGLISVKDSYCSNLIVK
QIENRYKILNNSLNPAISEDNDFNTTTNTFIDSIMAEANADNGRFMMELG
KYLRVGFFPDVKTTINLSGPEAYAAAYQDLLMFKEGSMNIHLIEADLRNF
EISKTNISQSTEQEMASLWSFDDARAKAQFEEYKRNYFEGSLGEDDNLDF
SQNIVVDKEYLLEKISSLARSSERGYIHYIVQLQGDKISYEAACNLFAKT
PYDSVLFQKNIEDSEIAYYYNPGDGEIQEIDKYKIPSIISDRPKIKLTFI
GHGKDEFNTDIFAGFDVDSLSTEIEAAIDLAKEDISPKSIEINLLGCNMF
SYSINVEETYPGKLLLKVKDKISELMPSISQDSIIVSANQYEVRINSEGR
RELLDHSGEWINKEESIIKDISSKEYISFNPKENKITVKSKNLPELSTLL
QEIRNNSNSSDIELEEKVMLTECEINVISNIDTQIVEERIEEAKNLTSDS
INYIKDEFKLIESISDALCDLKQQNELEDSHFISFEDISETDEGFSIRFI
NKETGESIFVETEKTIFSEYANHITEEISKIKGTIFDTVNGKLVKKVNAA
FFIQSLIEYNSSKESLSNLSVAMKVQVYAQLFSTGLNTITDAAKVVELVS
TALDETIDLLPTLSKLSYSFYGSGGTYALSLSQYNMGINIELSESDVWII
DVDNVVRDVTIKKGDLIEGILSTLSIEENKIILNSHEINFSGEVNGSNGF
VSLTFSILEGINAIIEVDLLSKSYKLLISGELKILMLNSNHIQQKIDYIG
FNSELQKNIPYSFVDSEGKENGFINGSTKEGLFVSELPDVVLISKVYMDD
SKPSFGYYSNNLKDVKVITKDNVNILTGYYLKDDIKISLSLTLQDEKTIK
LNSVHLDESGVAEILKFMNRKGDSLMSFLESMNIKSIFVNFLQSNIKFIL
DANFIISGTTSIGQFEFICDENDNIQPYFIKFNTLETNYTLYVGNRQNMI
VEPNYDLDDSGDISSTVINFSQKYLYGIDSCVNKVVISPNIYTDEINITP
VYETNNTYPEVIVLDANYINEKINVNINDLSIRYVWSNDGNDFILMSTSE
ENKVSQVKIRFVNVFKDKTLANKLSFNFSDKQDVPVSEIILSFTPSYYED
GLIGYDLGLVSLYNEKFYINNFGMMVSGLIYINDSLYYFKPPVNNLITGF
VTVGDDKYYFNPINGGAASIGETIIDDKNYYFNQSGVLQTGVFSTEDGFK
YFAPANT
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8y9b Chain B Residue 2401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8y9b TcdB1 in complex with mini-binder
Resolution3.2 Å
Binding residue
(original residue number in PDB)		D546 H653 C698 H757
Binding residue
(residue number reindexed from 1)		D545 H652 C697 H756
Annotation score1
External links
PDB RCSB:8y9b, PDBe:8y9b, PDBj:8y9b
PDBsum8y9b
PubMed
UniProtP18177|TCDB_CLODI Toxin B (Gene Name=tcdB)

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