Structure of PDB 8iy2 Chain C Binding Site BS02

Receptor Information
>8iy2 Chain C (length=91) Species: 270673 (Pseudomonas phage PaP2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQHKKIKGYRDLSQEEIDMMNRVKELGSQFEKLIQDVSDHLRGQYNASLH
NRDEITRIANAEPGRWLAIGKTDIQTGMMAIIRAIAQPDSF
Ligand information
Ligand ID3GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyZDPUTNZENXVHJC-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O[P](O)(O)=O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@H]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)CO
FormulaC10 H14 N5 O8 P
NameGUANOSINE-3'-MONOPHOSPHATE
ChEMBL
DrugBankDB03315
ZINCZINC000004807333
PDB chain8iy2 Chain C Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8iy2 Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides.
Resolution2.76 Å
Binding residue
(original residue number in PDB)		H5 Y11 R12 L14 I84 A88 P90
Binding residue
(residue number reindexed from 1)		H3 Y9 R10 L12 I82 A86 P88
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links