Structure of PDB 8ozi Chain C Binding Site BS03

Receptor Information
>8ozi Chain C (length=418) Species: 429344 (Maribacter polysiphoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRNKIFISHATPDDNDFTRWLALKLIGLGYEVWCDILFLDKGVDFWSNIE
KVIREDTCKFLLVSSSYSNQREGVLKELAVAAKVKKQLKDDKFIIPLAID
EQLSYDDINIDIVRLNAIDFKMSWARGLKDILEAFEKQKVPKEVADASKS
NLLYQQIFLHDKSVIEKEEIYDSNWLSILSFPEELRFHEYNWMLPKRFDV
RELTFPAVRYKNYLCTFAWAYDFTYHLPKTETYHKSKTIRIPTEEILSGS
YDSNFIRNAECKRLIVQLLNKAFELRMKDKEVQEYEMSNKTAYWLEKGKL
EKDKFEKTMLVGKQKDKNWHFAISGASKLYPFPVLMISSHIFFTADGKKL
IDSSSVQHSSRRRQGKNWWNNTWRTKLLAFIKYLSDDDTSFYLEMGSEEK
VFVSNEPVKFKGNVSYNI
Ligand information
Ligand IDNAD
InChIInChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain8ozi Chain C Residue 501 [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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PDB8ozi Activation mechanism of a short argonaute-TIR prokaryotic immune system.
Resolution3.22 Å
Binding residue
(original residue number in PDB)		T11 D35 L39 F45 R71 G73 E77
Binding residue
(residue number reindexed from 1)		T11 D35 L39 F45 R71 G73 E77
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0007165 signal transduction

View graph for
Biological Process
External links
PDB RCSB:8ozi, PDBe:8ozi, PDBj:8ozi
PDBsum8ozi
PubMed37467330
UniProtA0A316E683

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