Structure of PDB 4anj Chain A Binding Site BS01

Receptor Information
>4anj Chain A (length=995) Species: 6100,9823 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKPVWAPHPTDGFQVGNIVDIGPDSLTIEPLKTFLALINQVFPAEEDSKK
DVEDNCSLMYLNEATLLHNIKVRYSKDRIYTYVANILIAVNPYFDIPKIY
SSETIKSYQGKSLGTMPPHVFAIADKAFRDMKVLKLSQSIIVSGESGAGK
TENTKFVLRYLTESYGTIDDRIVEANPLLEAFGNAKTVRNNNSSRFGKFV
EIHFNEKSSVVGGFVSHYLLEKSRICVQGKEERNYHIFYRLCAGASEDIR
ERLHLSSPDNFRYLNRGCTRYFANKETDKQILQNRKSPEYLKAGSLKDPL
LDDHGDFIRMCTAMKKIGLDDEEKLDLFRVVAGVLHLGNIDFEECNLKNK
STQALEYCAELLGLDQDDLRVSLTTRVKVPLKVEQANNARDALAKTVYSH
LFDHVVNRVNQCFPFETSSYFIGVLDIAGFEYFEHNSFEQFCINYCNEKL
QQFFNERILKEEQELYQKEGLGVNEVHYVDNQDCIDLIEARLVGILDILD
EENRLPQPSDQHFTSAVHQKHKDHFRLSIPRKSKLAIHRNIRDDEGFIIR
HFAGAVCYETTQFVEKNNDALHMSLESLICESRDKFIRELFESFISVGNK
FKTQLNLLLDKLRSTGASFIRCIKPNLKMTSHHFEGAQILSQLQCSGMVS
VLDLMQGGFPSRASFHELYNMYKKYMPDKLARLDPRLFCKALFKALGLNE
IDYKFGLTKVFFRPGKFAEFDQIMKSDPDHLAELVKRVNHWLICSRWKKV
QWCSLSVIKLKNKIKYRAEAVSKGEELFTGVVPILVELDGDVNGHKFSVS
GEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFVQCFARYPDHMRQHDF
FKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKED
GNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQ
QNTPIGDGPVLLPDNHYLSYQSALSKDPNEKRDHMVLLEFVTAAG
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 chain4anj Chain A Residue 2230 [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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PDB4anj Processive Steps in the Reverse Direction Require Uncoupling of the Lead Head Lever Arm of Myosin Vi.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		N98 P99 F101 G154 G156 K157 T158 E159 F163 N200
Binding residue
(residue number reindexed from 1)		N91 P92 F94 G147 G149 K150 T151 E152 F156 N190
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) S146 G147 T151 N190 S193 S194 G429 E431
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0003774 cytoskeletal motor activity
GO:0005524 ATP binding
GO:0051015 actin filament binding
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0008218 bioluminescence
Cellular Component
GO:0005575 cellular_component
GO:0016459 myosin complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4anj, PDBe:4anj, PDBj:4anj
PDBsum4anj
PubMed22940248
UniProtP42212|GFP_AEQVI Green fluorescent protein (Gene Name=GFP);
Q29122|MYO6_PIG Unconventional myosin-VI (Gene Name=MYO6)

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