Structure of PDB 4zgn Chain A Binding Site BS01

Receptor Information
>4zgn Chain A (length=279) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVPRGSHMTLILTKNQVLHCQFSSWYSLFRKLTPKAKVIKPIPATVLKYL
HEDSIYVEQAYYPEREAIQLIEKAIKELGGAVVPKLNWSTPKDALWITTT
GSLKCTTAEEVLLLLKSSDFVAHDLNHAFDDCKDFDNADPKDFSFELVLK
EWFPMHASTEFRCFVKSKRLIAFCQRDDNYYEFLKENIDCYEKLISDLLK
KLDTFPDPDFVFDVYIHKDRAWLIDINPFYPRTDGLLFSWSELESMNSEN
MKPEIRLIPKASEGENLLEFAQKWQDLTN
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 chain4zgn Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zgn Cdc123, a Cell Cycle Regulator Needed for eIF2 Assembly, Is an ATP-Grasp Protein with Unique Features.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		K96 T101 K103 K164 W166 F167 M169 E174 R176 R190 I238 N241
Binding residue
(residue number reindexed from 1)		K85 T90 K92 K150 W152 F153 M155 E160 R162 R176 I224 N227
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0044183 protein folding chaperone
GO:0046872 metal ion binding
Biological Process
GO:0006457 protein folding
GO:1905143 eukaryotic translation initiation factor 2 complex assembly
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4zgn, PDBe:4zgn, PDBj:4zgn
PDBsum4zgn
PubMed26211610
UniProtQ9P7N5|CD123_SCHPO Translation initiation factor eIF2 assembly protein (Gene Name=cdc123)

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