Structure of PDB 1zy5 Chain A Binding Site BS01

Receptor Information
>1zy5 Chain A (length=271) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLRYASDFEEIAVLGQGAFGQVVKARNALDSRYYAIKKIRHTEEKLSTIL
SEVMLLASLNHQYVVRYYAAWLERRNFVKKKSTLFIQMEYCENGTLYDLI
HSENLNQQRDEYWRLFRQILEALSYIHSQGIIHRDLKPMNIFIDESRNVK
IGDFGLAKNVHRAMYVATEVLDGTGHYNEKIDMYSLGIIFFEMIYPFSTG
MERVNILKKLRSVSIEFPPDFDDNKMKVEKKIIRLLIDHDPNKRPGARTL
LNSGWLPVKHQDEVIKEALKS
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain1zy5 Chain A Residue 303 [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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PDB1zy5 Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G606 Q607 V613 E789 Y790 C791 F842 D853
Binding residue
(residue number reindexed from 1)		G15 Q16 V22 E89 Y90 C91 F142 D153
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D835 K837 N840 D853
Catalytic site (residue number reindexed from 1) D135 K137 N140 D153
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1zy5, PDBe:1zy5, PDBj:1zy5
PDBsum1zy5
PubMed15964839
UniProtP15442|GCN2_YEAST eIF-2-alpha kinase GCN2 (Gene Name=GCN2)

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