Structure of PDB 1phk Chain A Binding Site BS02

Receptor Information
>1phk 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]
FYENYEPKEILGRGVSSVVRRCIHKPTCKEYAVKIIDVTGGGSFSAEEVQ
ELREATLKEVDILRKVSGHPNIIQLKDTYETNTFFFLVFDLMKKGELFDY
LTEKVTLSEKETRKIMRALLEVICALHKLNIVHRDLKPENILLDDDMNIK
LTDFGFSCQLDPGEKLREVCGTPSYLAPEIIECSMNDNHPGYGKEVDMWS
TGVIMYTLLAGSPPFWHRKQMLMLRMIMSGNYQFGSPEWDDYSDTVKDLV
SRFLVVQPQKRYTAEEALAHPFFQQYV
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 chain1phk 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1phk Two structures of the catalytic domain of phosphorylase kinase: an active protein kinase complexed with substrate analogue and product.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L25 G26 G28 V33 A46 K48 M106 E110 L156 D167
Binding residue
(residue number reindexed from 1)		L11 G12 G14 V19 A32 K34 M92 E96 L142 D153
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D149 K151 N154 D167 T186
Catalytic site (residue number reindexed from 1) D135 K137 N140 D153 T172
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1phk, PDBe:1phk, PDBj:1phk
PDBsum1phk
PubMed7663944
UniProtP00518|PHKG1_RABIT Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform (Gene Name=PHKG1)

[Back to BioLiP]