Structure of PDB 4kqb Chain A Binding Site BS02

Receptor Information
>4kqb Chain A (length=419) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHQPIPPSLGEKDLSDPFNFLFSSNKITLRKLYDLTKNVDFDQLRQNECK
KNITLSKFWEEDDNWERFYSNIGSCSVYSDDQMIDNLLHDLNTSPIKHVH
IMDGGTQVKFVFTFKNDKQAVFKPMRFGRDYESDPNHFYFSDFERHHAEI
ATFHLDRVLGFRRAIPTVGRVLNMTTELFEKAEKKLKKTFFFSPAKNFCF
VSRCDYYCDTTHAICGLPDMKEGSVQVFLPDESAVPRKHNRSPYRRTYSK
KNQVAEWQSSMNYCTDKVKTKRQYAHGRRLLDLVDIHILDYLIGNQDRHH
FESFNVFNDLPSYAIHLDHGRAFGRSDFDDDDIILPLRQCCILRPSTFQT
LMNFYSTPKSLTKALHESLSKDPAHPILAYKHYPAMERRLAKIMSHILEC
FESRGVAEVLVAEYNNPDV
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 chain4kqb Chain A Residue 608 [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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PDB4kqb Crystal structure of the Golgi casein kinase.
Resolution3.045 Å
Binding residue
(original residue number in PDB)		M171 G174 T175 Q176 K178 V190 E213 Q295 F297 L298 L386 D387
Binding residue
(residue number reindexed from 1)		M102 G105 T106 Q107 K109 V121 E144 Q226 F228 L229 L317 D318
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
External links
PDB RCSB:4kqb, PDBe:4kqb, PDBj:4kqb
PDBsum4kqb
PubMed23754375
UniProtQ9XTW2|FA20C_CAEEL Extracellular serine/threonine protein kinase CeFam20 (Gene Name=famk-1)

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