Structure of PDB 2phk Chain A Binding Site BS03

Receptor Information
>2phk Chain A (length=277) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFYENYEPKEILGRGVSSVVRRCIHKPTCKEYAVKIIDVTGGGSFSAEEV
QELREATLKEVDILRKVSGHPNIIQLKDTYETNTFFFLVFDLMKKGELFD
YLTEKVTLSEKETRKIMRALLEVICALHKLNIVHRDLKPENILLDDDMNI
KLTDFGFSCQLDPGEKLREVCGTPSYLAPEIIECSMNDNHPGYGKEVDMW
STGVIMYTLLAGSPPFWHRKQMLMLRMIMSGNYQFGSPEWDDYSDTVKDL
VSRFLVVQPQKRYTAEEALAHPFFQQY
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain2phk Chain A Residue 381 [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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PDB2phk The crystal structure of a phosphorylase kinase peptide substrate complex: kinase substrate recognition.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G26 G28 V33 A46 K48 M106 E110 K151 L156 D167
Binding residue
(residue number reindexed from 1)		G13 G15 V20 A33 K35 M93 E97 K138 L143 D154
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D149 K151 E153 N154 D167 T186
Catalytic site (residue number reindexed from 1) D136 K138 E140 N141 D154 T173
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
2.7.11.19: phosphorylase kinase.
2.7.11.26: [tau protein] kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004689 phosphorylase kinase activity
GO:0005516 calmodulin binding
GO:0005524 ATP binding
Biological Process
GO:0005977 glycogen metabolic process
GO:0006468 protein phosphorylation
Cellular Component
GO:0005964 phosphorylase kinase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2phk, PDBe:2phk, PDBj:2phk
PDBsum2phk
PubMed9362479
UniProtP00518|PHKG1_RABIT Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform (Gene Name=PHKG1)

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