Structure of PDB 7ml7 Chain A Binding Site BS01

Receptor Information
>7ml7 Chain A (length=1216) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSLVNRKQLEKMANVRFRTQEDEYVAILDALEEYHNMSENTVVEKYLKLK
DINSLTDIYIDTYKKSGRNKALKKFKEYLVTEVLELKNNNLTPVEKNLHF
VAIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTVVESAI
NDTLESFRENLNDPRFDYNKFFRKRMEIIYDKQKNFINYYKAQREENPEL
IIDDIVKTYLSNEYSKEIDELNTYIEESLNKITQNSGNDVRNFEEFKNGE
SFNLYEQELVERWNLAAASDILRISALKEIGGMYLNVNMLPGIQPDLFES
IEKPSSVTVDFWEMTKLEAIMKYKEYIPEYTSEHFDMLDEEVQSSFESVL
ASKSDKSEIFSSLGDMEASPLEVKIAFNSKGIINQGLISVKDSYCSNLIV
KQIENRYKILNNSLNPAISEDNDFNTTTNTFIDSIMAEANADNGRFMMEL
GKYLRVGFFPDVKTTINLSGPEAYAAAYQDLLMFKEGSMNIHLIEADLRN
FEISKTNISQSTEQEMASLWSFDDARAKAQFEEYKRNYFEGSAGEDDNLD
FSQNIVVDKEYLLEKISSLARSSERGYIHYIVQLQGDKISYEAACNLFAK
TPYDSVLFQKNIEDSEIAYYYNPGDGEIQEIDKYKIPSIISDRPKIKLTF
IGHGKDEFNTDIFAGFDVDSLSTEIEAAIDLAKEDISPKSIEINLLGCNM
FSYSINVEETYPGKLLLKVKDKISELMPSISQDSIIVSANQYEVRINSEG
RRELLDHSGEWINKEESIIKDISSKEYISFNPKENKITVKSKNLPELSTL
LQEIRNNSNSSDIELEEKVMLTECEINVISNIDTQINYIKDEFKLIESIS
DALCDLKQQNILTGYYLKDDIKISLSLTLQDEKTIKLNSVHLDESGVAEI
LKFMNRKGLMSFLESMNIKSNIKFILDANFIISGTTSIGQFEFICDENDN
IQPYFIKFNTLETNYTLYVGNRQNMIVEPNYDLDDSGDISSTVINFSQKY
LYGIDSCVNKVVISPNIYTDEINITPVYETNNTYPEVIVLDANYINEKIN
VNINDLSIRYVWSNDGNDFILMSTSEENKVSQVKIRFVNVFKDKTLANKL
SFNFSDKQDVPVSEIILSFTPSYYEDGLIGYDLGLVSLYNEKFYINNFGM
MVSGLIYINDSLYYFKPPVNNLITGFVTVGDDKYYFNPINGGAASIGETI
IDDKNYYFNQSGVLQT
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 chain7ml7 Chain A Residue 2001 [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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PDB7ml7 Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection.
Resolution3.17 Å
Binding residue
(original residue number in PDB)		D546 H653 C698 H757
Binding residue
(residue number reindexed from 1)		D546 H653 C698 H757
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
3.4.22.-
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7ml7, PDBe:7ml7, PDBj:7ml7
PDBsum7ml7
PubMed34145250
UniProtP18177|TCDB_CLODI Toxin B (Gene Name=tcdB)

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