Structure of PDB 4aki Chain B Binding Site BS02

Receptor Information

>4aki Chain B (length=2650) Species: 6182,559292

SPILGYWKIKGLVQPTRLLLEYLEEKYEEHLYERDEGDKWRNKKFELGLE
FPNLPYYIDGDVKLTQSMAIIRYIADKHNMLGGCPKERAEISMLEGAVLD
IRYGVSRIAYSKDFETLKVDFLSKLPEMLKMFEDRLCHKTYLNGDHVTHP
DFMLYDALDVVLYMDPMCLDAFPKLVCFKKRIEAIPQIDKYLKSSKYIAW
PLQGWQATFGGGDHPPFVIEKSLNRIKKFWKEAQYEVIEHSSGLKLVREW
DVLEQACKEDLEELVSMKASNYYKIFEQDCLDLESKLTKLSEIQVNWVEV
QFYWLDLYGILGENLDIQNFLPLETSKFKSLTSEYKMITTRAFQLDTTIE
VIHIPNFDTTLKLTIDSLKMIKSSLSTFLERQRRQFPRFYFLGNDDLLKI
IGSGKHHDQVSKFMKKMFGSIESIIFLEDFITGVRSVEGEVLNLNEKIEL
KDSIQAQEWLNILDTEIKLSVFTQFRDCLGQIKDGTDIEVVVSKYIFQAI
LLSAQVMWTELVEKCLQTNQFSKYWKEVDMKIKGLLDKLNKSSDNVKKKI
EALLVEYLHFNNVIGQLKNCSTKEEARLLWAKVQKFYQKNDTLDDLNSVF
ISQSGYLLQYKFEYIGIPERLIYTPLLLIGFATLTDSLHQKYGGCFFGPA
GTGKTETVKAFGQNLGRVVVVFNCDDSFDYQVLSRLLVGITQIGAWGCFD
EFNRLDEKVLSAVSANIQQIQNGLQVGKSHITLLEEETPLSPHTAVFITL
NPGYNGRSELPENLKKSFREFSMKSPQSGTIAEMILQIMGFEDSKSLASK
IVHFLELLSSKCSSMNHYHFGLRTLKGVLRNCSPLISEFGEGEKTVVESL
KRVILPSLGDTDELVFKDELSKIFDSAGTPLNSKAIVQCLKDAGQRSGFS
MSEEFLKKCMQFYYMQKTQQALILVGKAGCGKTATWKTVIDAMAIFDGHA
NVVYVIDTKVLTKESLYGSMLKATLEWRDGLFTSILRRVNDDITGTFKNS
RIWVVFDSDLDPEYVEAMNSVLDDNKILTLPNGERLPIPPNFRILFETDN
LDHTTPATITRCGLLWFSTDVCSISSKIDHLLNKSYEALDNKLSMFELDK
LKDLISDSFDMASLTNIFTCSNDLVHILGVRTFNKLETAVQLAVHLISSY
RQWFQNLDDKSLKDVITLLIKRSLLYALAGDSTGESQRAFIQTINTYFGH
DSQELSDYSTIVIANDKLSFSSFCSEIPSVSLEAHEVMRPDIVIPTIDTI
KHEKIFYDLLNSKRGIILCGPPGSGKTMIMNNALRNSSLYDVVGINFSKD
TTTEHILSALHRHTNYVTTSKGLTLLPKSDIKNLVLFCDEINLPKLDKYG
SQNVVLFLRQLMEKQGFWKTPENKWVTIERIHIVGACNPPTDPGRIPMSE
RFTRHAAILYLGYPSGKSLSQIYEIYYKAIFKLVPEFRSYTEPFARASVH
LYNECKARYSTGLQSHYLFSPRELTRLVRGVYTAINTGPRQTLRSLIRLW
AYEAWRIFADRLVGVKEKNSFEQLLYETVDKYLPNQDLGNISSTSLLFSG
LLSLDFKEVNKTDLVNFIEERFKTFCDEELEVPMVIHESMVDHILRIDRA
LKQVQGHMMLIGASRTGKTILTRFVAWLNGLKIVQPKIHRHSNLSDFDMI
LKKAISDCSLKESRTCLIIDESNILETAFLERMNTLLANADIPDLFQGEE
YDKLLNNLRNKTRSLGLLLDTEQELYDWFVGEIAKNLHVVFTICDPTNNK
SSAMISSPALFNRCIINWMGDWDTKTMSQVANNMVDVIPMEFTDFTIRDA
VVNILIHFDRNFYQKMKVGVNPRSPGYFIDGLRALVKLVTAKYQDLQENQ
RFVNVGLEKLNESVKSLTFEKERWLNTTKQFSKTSQELIGNCIISSIYET
YFGHLNERERADMLVILKRLLGKFAVKYDVNYRFIDYLVTLDEKMKWLEC
GLDKNDYFLENMSIVMNSQDAVPFLLDPSSHMITVISNYYGNKTVLLSFL
EEGFVKRLENAIRFGSVVIIQDGEFFDPIISRLISREFNHAGNRVTVEIG
DHEVDVSGDFKLFIHSCDPSGDIPIFLRSRVRLVHFVTNKESIETRIFDI
TLTEENAEMQRKREDLIKLNTEYKLKLKNLEKRLLEELNNSQGNMLENDE
LMVTLNNLKKEAMNIEKKLSESEEFFPQFDNLVEEYSIIGKHSVKIFSML
EKFGQFHWFYGISIGQFLSCFKRVFITRVDEILWLLYQEVYCQFSTALDK
KFKMIMAMTMFCLYKFDIESEQYKEAVLTMIGVLSESSDGVPKLTVDTNN
DLRYLWDYVTTKSYISALNWFKNEFFVDEWNIADVVANSDNNYFTMASER
DVDGTFKLIELAKASKESLKIIPLGSIENLNYAQEEISKSKIEGGWILLQ
NIQMSLSWVKTYLHKHVEETKAAEEHEKFKMFMTCHLTGDKLPAPLLQRT
DRFVYEDIPGILDTVKDLWGSQFFTGKISGVWSVYCTFLLSWFHALITAR
TRLVPHGFSKKYYFNDCDFQFASVYLENVLATNSTNNIPWAQVRDHIATI
VYGGKIDEEKDLEVVAKLCAHVFCGSDNLQIVPGVRIPQPLLQQSEEEER
ARLTAILSNTIEPADSLSSWLQLPRESILNYERLQAKEVASSTEQLLQEM

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: 4aki Chain B Residue 5097

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4aki Insights Into Dynein Motor Domain Function from a 3.3 Angstrom Crystal Structure
• Resolution: 3.7 Å
• Binding residue (original residue number in PDB): T2081 D2155 E2195 E2511
• Binding residue (residue number reindexed from 1): T933 D1007 E1047 E1363
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y6 L12
• Catalytic site (residue number reindexed from 1): Y6 L12
• Enzyme Commision number: 2.5.1.18: glutathione transferase.

Gene Ontology

Molecular Function

• GO:0004364 glutathione transferase activity
• GO:0005524 ATP binding
• GO:0008569 minus-end-directed microtubule motor activity
• GO:0016740 transferase activity
• GO:0016887 ATP hydrolysis activity
• GO:0045505 dynein intermediate chain binding
• GO:0051959 dynein light intermediate chain binding

Biological Process

• GO:0006749 glutathione metabolic process
• GO:0007018 microtubule-based movement

Cellular Component

• GO:0030286 dynein complex

External links

• PDB: RCSB:4aki, PDBe:4aki, PDBj:4aki
• PDBsum: 4aki
• PubMed: 22426545
• UniProt: P08515|GST26_SCHJA Glutathione S-transferase class-mu 26 kDa isozyme;
  P36022|DYHC_YEAST Dynein heavy chain, cytoplasmic (Gene Name=DYN1)