Structure of PDB 8jsk Chain A Binding Site BS01

Receptor Information
>8jsk Chain A (length=158) Species: 1735583 (Pseudovibrio sp. W64) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIERFEGETGMRLLVEALQMNKMVRGNVKIAQELAKKIVLEKVSAGDELI
QQDTETNDIYFIISGSLSIIVNGQQIAIRGPNDHIGEMAAIQPTQKRSAT
VQAVEQCLVAKITEADFSHLAKNNAELYKSIAQELARRLQERNKLVTTHH
LEHHHHHH
Ligand information
Ligand ID6SY
InChIInChI=1S/C9H11N2O8P/c12-5-1-2-11(9(14)10-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H,10,12,14)/t4-,6-,7-,8-/m1/s1
InChIKeyNXIHNBWNDCFCGL-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1N3C=CC(=O)NC3=O
OpenEye OEToolkits 2.0.5C1C2C(C(C(O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O
OpenEye OEToolkits 2.0.5C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O
CACTVS 3.385O[C@@H]1[C@@H]2O[P](O)(=O)OC[C@H]2O[C@H]1N3C=CC(=O)NC3=O
FormulaC9 H11 N2 O8 P
NameUridine-3',5'-cyclic monophosphate;
cUMP
ChEMBL
DrugBank
ZINCZINC000013551795
PDB chain8jsk Chain A Residue 201 [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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PDB8jsk Structural and functional characterization of cyclic pyrimidine-regulated anti-phage system.
Resolution2.401 Å
Binding residue
(original residue number in PDB)		I69 I85 G86 E87 M88 A89 R97 S98 A99 R138
Binding residue
(residue number reindexed from 1)		I69 I85 G86 E87 M88 A89 R97 S98 A99 R138
Annotation score1
External links