Structure of PDB 7naj Chain B Binding Site BS01

Receptor Information
>7naj Chain B (length=140) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPDVFISYRRNSGSQLASLLKVHLQLHGFSVFIDVEKLEAGKFEDKLIQS
VMGARNFVLVLSPGALDKCMQDHDCKDWVHKEIVTALSCGKNIVPIIDGF
EWPEPQVLPEDMQAVLTFNGIKWSHEYQEATIEKIIRFLQ
Ligand information
Ligand ID1LK
InChIInChI=1S/C5H11FO9P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-5,7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4-,5+/m1/s1
InChIKeyJLUFHMADAUUBBV-WDCZJNDASA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[CH]1[CH](F)CO[CH]1CO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.7C1C(C(C(O1)COP(=O)(O)OP(=O)(O)O)O)F
OpenEye OEToolkits 2.0.7C1[C@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)F
ACDLabs 12.01OC1C(COP(=O)(O)OP(=O)(O)O)OCC1F
CACTVS 3.385O[C@H]1[C@H](F)CO[C@@H]1CO[P](O)(=O)O[P](O)(O)=O
FormulaC5 H11 F O9 P2
Name1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol
ChEMBL
DrugBank
ZINC
PDB chain7naj Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7naj Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y568 R569 R570 D594 L607 W638 E642
Binding residue
(residue number reindexed from 1)		Y8 R9 R10 D34 L47 W78 E82
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.2.-
3.2.2.6: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase.
Gene Ontology
Molecular Function
GO:0003953 NAD+ nucleosidase activity
GO:0035591 signaling adaptor activity
Biological Process
GO:0007165 signal transduction
GO:0034128 negative regulation of MyD88-independent toll-like receptor signaling pathway
GO:0048678 response to axon injury

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7naj, PDBe:7naj, PDBj:7naj
PDBsum7naj
PubMed35334231
UniProtQ6SZW1|SARM1_HUMAN NAD(+) hydrolase SARM1 (Gene Name=SARM1)

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