Structure of PDB 7lcz Chain A Binding Site BS01

Receptor Information
>7lcz Chain A (length=303) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LEKINEVIRRAWAVPTHGHELGYSLCNSLRQSGGLDLLMKNCVKPDLQFS
SAQLLEQCLTTENRKHVVDNGLDKVVNVACVCTKNSNMEHSRVGTGILEH
LFKHSEGTCSDVIRLGGLDAVLFECRTSDLETLRHCASALANLSLYGGAE
NQEEMILRKVPMWLFPLAFHNDDNIKYYACLAIAVLVANKEIEAEVLKSG
CLDLVEPFVTSHDPSAFARSNLAHAHGQSKHWLKRLVPVLSSNREEARNL
AAFHFCMEAGIKREQGNTDIFREINAIEALKNVASCPNAIASKFAAQALR
LIG
Ligand information
Ligand IDNMN
InChIInChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1
InChIKeyDAYLJWODMCOQEW-TURQNECASA-O
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N
ACDLabs 10.04O=C(c1ccc[n+](c1)C2OC(C(O)C2O)COP(=O)(O)O)N
FormulaC11 H16 N2 O8 P
NameBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE;
NICOTINAMIDE MONONUCLEOTIDE
ChEMBL
DrugBank
ZINCZINC000004228273
PDB chain7lcz Chain A Residue 701 [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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PDB7lcz SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		W385 E429 Q430 C431 L432 H473 A596 H597 H599
Binding residue
(residue number reindexed from 1)		W12 E56 Q57 C58 L59 H100 A223 H224 H226
Annotation score2
Enzymatic activity
Enzyme Commision number 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: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:7lcz, PDBe:7lcz, PDBj:7lcz
PDBsum7lcz
PubMed33657413
UniProtQ6IDD9|SARM1_DROME NAD(+) hydrolase sarm1 (Gene Name=Sarm)

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