Structure of PDB 1ykd Chain A Binding Site BS02

Receptor Information
>1ykd Chain A (length=383) Species: 1167 (Anabaena sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTEVEQKLQIVHQTLSMLDSHGFENILQEMLQSITLKTGELLGADRTTIF
LLDEEKQELWSIVAAGEGDRSLEIRIPADKGIAGEVATFKQVVNIPFDFY
HDPRSIFAQKQEKITGYRTYTMLALPLLSEQGRLVAVVQLLNKLKPYSPP
DALLAERIDNQGFTSADEQLFQEFAPSIRLILESSRSFYIATQKQRAAAA
MMKAVKSLSQSSLDLEDTLKRVMDEAKELMNADRSTLWLIDRDRHELWTK
ITQDNGSTKELRVPIGKGFAGIVAASGQKLNIPFDLYDHPDSATAKQIDQ
QNGYRTCSLLCMPVFNGDQELIGVTQLVNKKKTGEFPPYNPETWPIAPEC
FQASFDRNDEEFMEAFNIQAGVALQNAQLFATV
Ligand information
Ligand IDCMP
InChIInChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyIVOMOUWHDPKRLL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N
ACDLabs 10.04O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O
FormulaC10 H12 N5 O6 P
NameADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE;
CYCLIC AMP;
CAMP
ChEMBLCHEMBL316966
DrugBankDB02527
ZINCZINC000003873977
PDB chain1ykd Chain A Residue 502 [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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PDB1ykd Crystal structure of the tandem GAF domains from a cyanobacterial adenylyl cyclase: Modes of ligand binding and dimerization
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R291 T293 I308 G325 F326 A327 I355 T363 Q383
Binding residue
(residue number reindexed from 1)		R234 T236 I251 G268 F269 A270 I298 T306 Q326
Annotation score5
Enzymatic activity
Enzyme Commision number 4.6.1.1: adenylate cyclase.
External links