Structure of PDB 2dcl Chain C Binding Site BS01

Receptor Information
>2dcl Chain C (length=97) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEVEHWNTLRLRIYIGENDKWEGRPLYKVIVEKLREMGIAGATVYRGIYG
FGKIRLSTDLPIIVEVVDRGHNIEKVVNVIKPMIKDGMITVEPTIVL
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain2dcl Chain A Residue 901 [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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PDB2dcl Crystal structure of PH1503 protein from Pyrococcus Horikoshii OT3
Resolution2.28 Å
Binding residue
(original residue number in PDB)		F52 G53 R65 P71 D96 M98
Binding residue
(residue number reindexed from 1)		F51 G52 R55 P61 D86 M88
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2dcl, PDBe:2dcl, PDBj:2dcl
PDBsum2dcl
PubMed
UniProtO59172|Y1503_PYRHO UPF0166 protein PH1503 (Gene Name=PH1503)

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