Structure of PDB 4dbq Chain A Binding Site BS01

Receptor Information
>4dbq Chain A (length=744) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKPVWAPHPTDGFQVGNIVDIGPDSLTIEPLNQKGKTFLALINQVFPAEE
DSKKDVEDNCSLMYLNEATLLHNIKVRYSKDRIYTYVANILIAVNPYFDI
PKIYSSETIKSYQGKSLGTMPPHVFAIADKAFRDMKVLKLSQSIIVSGES
GAGKTENTKFVLRYLTESYGTGQDIYDRIVEANPLLEAFGNAKTVRNNNS
SRFGKFVEIHFNEKSSVVGGFVSHYLLEKSRICVQGKEERNYHIFYRLCA
GASEDIRERLHLSSPDNFRYLNRDPLLDDHGDFIRMCTAMKKIGLDDEEK
LDLFRVVAGVLHLGNIDFCNLKNKSTQALEYCAELLGLDQDDLRVSLTTR
VMVPLKVEQANNARDALAKTVYSHLFDHVVNRVNQCFPFETSSYFIGVLD
IAGFEYFEHNSFEQFCINYCNEKLQQFFNERILKEEQELYQKEGLGVNEV
HYVDNQDCIDLIEARLVGILDILDEENRLPQPSDQHFTSAVHQKHKDHFR
LSIPRKSKLAIHRNIRDDEGFIIRHFAGAVCYETTQFVEKNNDALHMSLE
SLICESRDKFIRELFESLSFISVGNKFKTQLNLLLDKLRSTGASFIRCIK
PNLKMTSHHFEGAQILSQLQCSGMVSVLDLMQGGFPSRASFHELYNMYKK
YMPDKLARLDPRLFCKALFKALGLNEIDYKFGLTKVFFRPGKFAEFDQIM
KSDPDHLAELVKRVNHWLICSRWKKVQWCSLSVIKLKNKIKYRA
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain4dbq Chain A Residue 901 [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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PDB4dbq Mutations in myosin VI that cause a loss of coordination between heads provide insights into the structural changes underlying force generation and the importance of gating
Resolution2.6 Å
Binding residue
(original residue number in PDB)		N98 P99 G154 G156 K157 T158 E159 N200
Binding residue
(residue number reindexed from 1)		N95 P96 G151 G153 K154 T155 E156 N197
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S153 G154 T158 N200 S203 S204 G459 E461
Catalytic site (residue number reindexed from 1) S150 G151 T155 N197 S200 S201 G403 E405
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003774 cytoskeletal motor activity
GO:0005524 ATP binding
GO:0051015 actin filament binding
Cellular Component
GO:0016459 myosin complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4dbq, PDBe:4dbq, PDBj:4dbq
PDBsum4dbq
PubMed
UniProtQ29122|MYO6_PIG Unconventional myosin-VI (Gene Name=MYO6)

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