Structure of PDB 1lvk Chain A Binding Site BS02

Receptor Information
>1lvk Chain A (length=743) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPIHDRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPKERDSYECGE
IVSETSDSFTFKTSDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPA
VFHNLRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEV
APHIFAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAG
RNQAGVLEQQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNNAGFIS
GASIQSYLLEKSRVVFQSTSERNYHIFYQLLAGATAEEKKALHLAGPESF
NYLNQSGCVDIKGVSDEDEFKITRQAMDIVGFSQEEQMSIFKIIAGILHL
GNIKFEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDL
VAQHLNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCSERKAYFIGVLD
ISGFEIFKVNSFEQLCINYTNEKLQQFFNHHMFKVEQEKYLKEKINLDSQ
ATIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYEEP
RFSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVTKL
FNDPNIASRAFLTVAAQYKEQLASLMATLETTNPHFVRCIIPNNKQLPAK
LEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADFVKRYYDLAPNVPRDA
EDSQKATDAVLKHLNIDPEQFRFGITKIFFRAGQLARIEEARE
Ligand information
Ligand IDMNT
InChIInChI=1S/C18H22N6O10P2/c1-20-11-5-3-2-4-10(11)18(25)33-12-6-14(24-9-23-15-16(19)21-8-22-17(15)24)32-13(12)7-31-36(29,30)34-35(26,27)28/h2-5,8-9,12-14,20H,6-7H2,1H3,(H,29,30)(H2,19,21,22)(H2,26,27,28)/t12-,13+,14+/m0/s1
InChIKeyQPKUEBLEGWBRHC-BFHYXJOUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@@](O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34
OpenEye OEToolkits 1.5.0CNc1ccccc1C(=O)OC2CC(OC2COP(=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N
CACTVS 3.341CNc1ccccc1C(=O)O[CH]2C[CH](O[CH]2CO[P](O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)CC4OC(=O)c3ccccc3NC
OpenEye OEToolkits 1.5.0CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N
FormulaC18 H22 N6 O10 P2
Name2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE;
MANT-ADP
ChEMBL
DrugBankDB03126
ZINCZINC000014880629
PDB chain1lvk Chain A Residue 999 [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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PDB1lvk X-ray crystal structure and solution fluorescence characterization of Mg.2'(3')-O-(N-methylanthraniloyl) nucleotides bound to the Dictyostelium discoideum myosin motor domain.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N127 P128 S181 G182 G184 K185 T186 E187 N233 N234 N235
Binding residue
(residue number reindexed from 1)		N126 P127 S180 G181 G183 K184 T185 E186 N229 N230 N231
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.92,Kd=1.2uM
Enzymatic activity
Catalytic site (original residue number in PDB) S181 G182 T186 N233 S236 S237 G457 E459
Catalytic site (residue number reindexed from 1) S180 G181 T185 N229 S232 S233 G453 E455
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:1lvk, PDBe:1lvk, PDBj:1lvk
PDBsum1lvk
PubMed9405148
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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