Structure of PDB 7mi3 Chain A Binding Site BS04

Receptor Information
>7mi3 Chain A (length=1192) Species: 10665,559292 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKAIVQCLKDAGQRSGFSMSEEFLKKCMQFYYMQKTQQALILVGKAGCGK
TATWKTVIDAMAIFDGHANVVYVIDTKVLTKESLYGSMLKATLEWRDGLF
TSILRRVNDDITGTFKNSRIWVVFDSDLDPEYVEAMNSVLDDNKILTLPN
GERLPIPPNFRILFETDNLDHTTPATITRCGLLWFSTDVCSISSKIDHLL
NKSYEALDNKLSMFELDKLKDLISDSFDMASLTNIFTCSNDLVHILGVRT
FNKLETAVQLAVHLISSYRQWFQNLDDKSLKDVITLLIKRSLLYALAGDS
TGESQRAFIQTINTYFGHDSQELSDYSTIVIANDKLSFSSFCSEIPSVSL
EAHEVMRPDIVIPTIDTIKHEKIFYDLLNSKRGIILCGPPGSGKTMIMNN
ALRNSSLYDVVGINFSKDTTTEHILSALHRHTNYVTTSKGLTLLPKSDIK
NLVLFCDEINLPKLDKYGSQNVVLFLRQLMEKQGFWKTPENKWVTIERIH
IVGACNPPTDPGRIPMSERFTRHAAILYLGYPSGKSLSQIYEIYYKAIFK
LVPEFRSYTEPFARASVHLYNECKARYSTGLQSHYLFSPRELTRLVRGVY
TAINTGPRQTLRSLIRLWAYEAWRIFADRLVGVKEKNSFEQLLYETVDKY
LPNQDLGNISSTSLLFSGLLSLDFKEVNKTDLVNFIEERFKTFCDEELEV
PMVIHESMVDHILRIDRALKQVQGHMMLIGASRTGKTILTRFVAWLNGLK
IVQPKIHRHSNLSDFDMILKKAISDCSLKESRTCLIIDESNILETAFLER
MNTLLANADIPDLFQGEEYDKLLNNLRNKTRSLGLLLDTEQELYDWFVGE
IAKNLHVVFTICDPTNNKSSAMISSPALFNRCIINWMGDWDTKTMSQVAN
NMVDVIPMEFTDFIVPEVNKELVFTEPIQTIRDAVVNILIHFDRNFYQKM
KVGVNPRSPGYFIDGLRALVKLVTAKYQDLQFSKTSQELIGNCIISSIYE
TYFGHLNERERADMLVILKRLLGKFAVKYDVNYRFIDYLVTLDEKMKWLE
CGLDKNDYFLENMSIVMNSQDAVPFLLDPSSHMITVISNYYGNKTVLLSF
LEEGFVKRLENAIRFGSVVIIQDGEFFDPIISRLISREFNHAGNRVTVEI
GDHEVDVSGDFKLFIHSCDPSGDIPIFLRSRVRLVHFVTNKE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7mi3 Chain A Residue 4204 [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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PDB7mi3 Targeting allostery in the Dynein motor domain with small molecule inhibitors.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		T2081 E2195
Binding residue
(residue number reindexed from 1)		T51 E165
Annotation score1
Enzymatic activity
Enzyme Commision number ?
3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0005524 ATP binding
GO:0008569 minus-end-directed microtubule motor activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016887 ATP hydrolysis activity
GO:0045505 dynein intermediate chain binding
GO:0051959 dynein light intermediate chain binding
Biological Process
GO:0007018 microtubule-based movement
GO:0009253 peptidoglycan catabolic process
GO:0016998 cell wall macromolecule catabolic process
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0044659 viral release from host cell by cytolysis
Cellular Component
GO:0030286 dynein complex
GO:0030430 host cell cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7mi3, PDBe:7mi3, PDBj:7mi3
PDBsum7mi3
PubMed34015309
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E);
P36022|DYHC_YEAST Dynein heavy chain, cytoplasmic (Gene Name=DYN1)

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