Structure of PDB 5oyh Chain K Binding Site BS01

Receptor Information

>5oyh Chain K (length=183) Species: 765915 (Catenaria anguillulae PL171)

TEAKEYESVTVFFSDITNFTVISSRTSTKDMMATLNKLWLEYDAIAKRWG
VYKVKTIGDAYLGVTGAPEVVPDHADRAVNFALDIIEMIKTFKTATGESI
NIRIGLNSGPVTAGVLGDLNPHWDLVGDTVNTASRMESTSKAGHIHISDS
TYQMIKGKFVTQPLDLMEVKGKGKMQTYWVTAR

Ligand information

• Ligand ID: T99
• InChI: InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-,30+/m1/s1
• InChIKey: ROYJKVPBJVNHCQ-CENJAJHPSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N
  OpenEye OEToolkits 2.0.6: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N
  CACTVS 3.385: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](S)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
  CACTVS 3.385: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
• Formula: C10 H16 N5 O12 P3 S
• Name: ADENOSINE-5'-SP-ALPHA-THIO-TRIPHOSPHATE
• PDB chain: 5oyh Chain K Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5oyh Rhodopsin-cyclases for photocontrol of cGMP/cAMP and 2.3 angstrom structure of the adenylyl cyclase domain.
• Resolution: 2.249 Å
• Binding residue (original residue number in PDB): N460 F461 T462 I499 D501 R545
• Binding residue (residue number reindexed from 1): N18 F19 T20 I57 D59 R103
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D457 I458 D501 R577 K612
• Catalytic site (residue number reindexed from 1): D15 I16 D59 R135 K170

Gene Ontology

Biological Process

• GO:0009190 cyclic nucleotide biosynthetic process
• GO:0035556 intracellular signal transduction

External links

• PDB: RCSB:5oyh, PDBe:5oyh, PDBj:5oyh
• PDBsum: 5oyh
• PubMed: 29799525
• UniProt: A0A1Y2HEJ3