Structure of PDB 7mi6 Chain A Binding Site BS04

Receptor Information

>7mi6 Chain A (length=2419) Species: 10665,559292

FVIEKSLNRIKKFWKEAQYEVIEHSSGLKLVREWDVLEQACKEDLEELVS
MKASNYYKIFEQDCLDLESKLTKLSEIQVNWVEVQFYWLDLYGILGENLD
IQNFLPLETSKFKSLTSEYKMITTRAFQLDTTIEVIHIPNFDTTLKLTID
SLKMIKSSLSTFLERQRRQFPRFYFLGNDDLLKIIGSGKHHDQVSKFMKK
MFGSIESIIFLEDFITGVRSVEGEVLNLNEKIELKDSIQAQEWLNILDTE
IKLSVFTQFRDCLGQLKDGTDIEVVVSKYIFQAILLSAQVMWTELVEKCL
QTNQFSKYWKEVDMKIKGLLDKLNKSSDNVKKKIEALLVEYLHFNNVIGQ
LKNCSTKEEARLLWAKVQKFYQKNDTLDDLNSVFISQSGYLLQYKFEYIG
IPERLIYTPLLLIGFATLTDSLHQKYGGCFFGPAGTGKTETVKAFGQNLG
RVVVVFNCDDSFDYQVLSRLLVGITQIGAWGCFDQFNRLDEKVLSAVSAN
IQQIQNGLQVGKSHITLLEEETPLSPHTAVFITLNPGYNGRSELPENLKK
SFREFSMKSPQSGTIAEMILQIMGFEDSKSLASKIVHFLELLSSKCSSMN
HYHFGLRTLKGVLRNCSPLISEFGEGEKTVVESLKRVILPSLGDTDELVF
KDELSKIFDSAGTPLNSKAIVQCLKDAGQRSGFSMSEEFLKKCMQFYYMQ
KTQQALILVGKAGCGKTATWKTVIDAMAIFDGHANVVYVIDTKVLTKESL
YGSMLKATLEWRDGLFTSILRRVNDDITGTFKNSRIWVVFDSDLDPEYVE
AMNSVLDDNKILTLPNGERLPIPPNFRILFETDNLDHTTPATITRCGLLW
FSTDVCSISSKIDHLLNKSYEALDNKLSMFELDKLKDLISDSFDMASLTN
IFTCSNDLVHILGVRTFNKLETAVQLAVHLISSYRQWFQNLDDKSLKDVI
TLLIKRSLLYALAGDSTGESQRAFIQTINTYFGHDSQELSDYSTIVIAND
KLSFSSFCSEIPSVSLEAHEVMRPDIVIPTIDTIKHEKIFYDLLNSKRGI
ILCGPPGSGKTMIMNNALRNSSLYDVVGINFSKDTTTEHILSALHRHTNY
VTTSKGLTLLPKSDIKNLVLFCDEINLPKLDKYGSQNVVLFLRQLMEKQG
FWKTPENKWVTIERIHIVGACNPPTDPGRIPMSERFTRHAAILYLGYPSG
KSLSQIYEIYYKAIFKLVPEFRSYTEPFARASVHLYNECKARYSTGLQSH
YLFSPRELTRLVRGVYTAINTGPRQTLRSLIRLWAYEAWRIFADRLVGVK
EKNSFEQLLYETVDKYLPNQDLGNISSTSLLFSGLLSLDFKEVNKTDLVN
FIEERFKTFCDEELEVPMVIHESMVDHILRIDRALKQVQGHMMLIGASRT
GKTILTRFVAWLNGLKIVQPKIHRHSNLSDFDMILKKAISDCSLKESRTC
LIIDESNILETAFLERMNTLLANADIPDLFQGEEYDKLLNNLRNKTRSLG
LLLDTEQELYDWFVGEIAKNLHVVFTICDPTNNKSSAMISSPALFNRCII
NWMGDWDTKTMSQVANNMVDVIPMEFTDFIVPEVNKELVFTEPIQTIRDA
VVNILIHFDRNFYQKMKVGVNPRSPGYFIDGLRALVKLVTAKYQDLQENQ
RFVNVGLERWLNTTKQFSKTSQELIGNCIISSIYETYFGHLNERERADML
VILKRLLGKFAVKYDVNYRFIDYLVTLDEKMKWLECGLDKNDYFLENMSI
VMNSQDAVPFLLDPSSHMITVISNYYGNKTVLLSFLEEGFVKRLENAIRF
GSVVIIQDGEFFDPIISRLISREFNHAGNRVTVEIGDHEVDVSGDFKLFI
HSCDPSGDIPIFLRSRVRLVHFVTNKESIETRIFDITLTEENAEMQRKRE
DLIKLNTEYKLKLKNLEKRLLETLNNLKKEAMNIEKKLSESEEFFPQFDN
LVEEYSIIGKHSVKIFSMLEKFGQFHWFYGISIGQFLSCFKRVFITRVDE
ILWLLYQEVYCQFSTALDKKFKMIMAMTMFCLYKFDIESEQYKEAVLTMI
GVLSESSDGVPKLTVDTNDDLRYLWDYVTTKSYISALNWFKNEFFVDEWN
IADVVANSENNYFTMASERDVDGTFKLIELAKASKESLKIIPLGSIENLN
YAQEEISKSKIEGGWILLQNIQMSLSWVKTYLHKHVEETKAAEEHEKFKM
FMTCHLTGDKLPAPLLQRTDRVVYEDIPGILDTVKDLWGSQFFTGKISGV
WSVYCTFLLSWFHALITARTRLVPHGFSKKYYFNDCDFQFASVYLENVLA
TNSTNNIPWAQVRDHIATIVYGGKIDEEKDLEVVAKLCAHVFCGSDNLQI
VPGVRIPQPLLQQSEEEERARLTAILSNTIEPADSLSSWLQLPRESILDY
ERLQAKEVASSTEQLLQEM

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 7mi6 Chain A Residue 4204

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7mi6 Targeting allostery in the Dynein motor domain with small molecule inhibitors.
• Resolution: 3.9 Å
• Binding residue (original residue number in PDB): T2081 E2195
• Binding residue (residue number reindexed from 1): T717 E831
• Annotation score: 1

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

External links

• PDB: RCSB:7mi6, PDBe:7mi6, PDBj:7mi6
• PDBsum: 7mi6
• PubMed: 34015309
• UniProt: P00720|ENLYS_BPT4 Endolysin (Gene Name=E);
  P36022|DYHC_YEAST Dynein heavy chain, cytoplasmic (Gene Name=DYN1)