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Structure of PDB 1h1h Chain A Binding Site BS01

Receptor Information >1h1h Chain A (length=134) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MRPPQFTRAQWFAIQHISLNPPRCTIAMRAINNYRWRCKNQNTFLRTTFA NVVNVCGNQSIRCPHNRTLNNCHRSRFRVPLLHCDLINPGAQNISNCRYA DRPGRRFYVVACDNRDPRDSPRYPVVPVHLDTTI

Ligand information Ligand ID A2P InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1 InChIKey AEOBEOJCBAYXBA-KQYNXXCUSA-N SMILES Software SMILES CACTVS 3.341 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O[P](O)(O)=O OpenEye OEToolkits 1.5.0 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)OP(=O)(O)O)N CACTVS 3.341 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O[P](O)(O)=O ACDLabs 10.04 O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OP(=O)(O)O)C3O OpenEye OEToolkits 1.5.0 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N Formula C10 H15 N5 O10 P2 Name ADENOSINE-2'-5'-DIPHOSPHATE ChEMBL CHEMBL1161861 DrugBank DB02098 ZINC ZINC000004096223 PDB chain 1h1h Chain A Residue 1134 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 1h1h The Crystal Structure of Eosinophil Cationic Protein in Complex with 2'5'-Adp at 2.0 A Resolution Reveals the Details of the Ribonucleolytic Active Site Resolution 2.0 Å Binding residue (original residue number in PDB) Q14 K38 H128 Binding residue (residue number reindexed from 1) Q15 K39 H129 Annotation score 1 Binding affinity MOAD: Ki~6.5uM PDBbind-CN: -logKd/Ki=5.22,Ki=6uM

Enzymatic activity Catalytic site (original residue number in PDB) K38 H128 L129 D130 Catalytic site (residue number reindexed from 1) K39 H129 L130 D131 Enzyme Commision number 3.1.27.-

Gene Ontology Molecular Function GO:0001530 lipopolysaccharide binding GO:0003676 nucleic acid binding GO:0004519 endonuclease activity GO:0004540 RNA nuclease activity

	Biological Process
GO:0002227	innate immune response in mucosa
GO:0006401	RNA catabolic process
GO:0006935	chemotaxis
GO:0019731	antibacterial humoral response
GO:0042742	defense response to bacterium
GO:0043152	induction of bacterial agglutination
GO:0045087	innate immune response
GO:0050829	defense response to Gram-negative bacterium
GO:0050830	defense response to Gram-positive bacterium
GO:0061844	antimicrobial humoral immune response mediated by antimicrobial peptide

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space
GO:0035578	azurophil granule lumen

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