Structure of PDB 8jl0 Chain A Binding Site BS03

Receptor Information
>8jl0 Chain A (length=573) Species: 35554 (Geobacter sulfurreducens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVLTDNEFYQHYLQNSQHMMWFLGAGTSRSAGLPTASDIIWDLKHRYYC
INNHAIKSKIQSYMDSKGFPLQWSPEEYSFYFELVFRDDYEAQRKYLLEA
LASRKVSLNIGHRVLAALLEMNQTKVVFTTNFDDVIETAFSDISGKHLSV
YHLEGSYAALSALNTEAFPIYAKIHGDFRYQKIKNLTPDLQTNDREIHKC
FLAAAIRFGLVVSGYSGRDENVMTMLRAAIDQNNAFPHGLYWTVPSISKS
EPAVQDLITYAQGKGVRAYLVETGTFDEMLSKIWRQVKDKPAAIDAKVRT
ARVCPVSIPLPGPGKSFPALRTNALPVVTQSIRCGVVTLASPITFSELKE
RISQKSPKALLTYTEKVLFLGGEPEIRKIFSNDEINSIGQYYIDEIAQSV
AASTFLKSFVEEAILTALLREKPILHRVRHRTHYAVIPNASAKDDRFLDL
RKAVGFKGDLGYITGNVTNAKELSWAEAVSIRLEERGGKLWIMLKPEIWI
KPLDRREEATDFIRSRRRYRFNQCSYQILDAWIKILFGSIGGGGTVNISC
FPDAEFKAEFEIGTRTAFSLGVG
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 chain8jl0 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8jl0 Structural basis of antiphage immunity generated by a prokaryotic Argonaute-associated SPARSA system.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		A26 R30 P35 T36 A37 Y89 L112 N142 F143 D144 F189 G225 Y226 S227 R229 E262 F287
Binding residue
(residue number reindexed from 1)		A26 R30 P35 T36 A37 Y78 L101 N131 F132 D133 F178 G214 Y215 S216 R218 E251 F276
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003674 molecular_function
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0005575 cellular_component

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8jl0, PDBe:8jl0, PDBj:8jl0
PDBsum8jl0
PubMed38200015
UniProtQ74DF6

[Back to BioLiP]