Structure of PDB 8gni Chain A Binding Site BS01
Receptor Information
>8gni Chain A (length=492) Species:
9606
(Homo sapiens) [
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GTEVQDALERALPELQQALSALKQAGGARAVGAGLAEVFQLVEEAWLLPA
VGREVAQGLCDAIRLDGGLDLLLRLLQAPELETRVQAARLLEQILVAENR
DRVARIGLGVILNLAKEREPVELARSVAGILEHMFKHSEETCQRLVAAGG
LDAVLYWCRRTDPALLRHCALALGNCALHGGQAVQRRMVEKRAAEWLFPL
AFSKEDELLRLHACLAVAVLATNKEVEREVERSGTLALVEPLVASLDPGR
FARCLVDASDTSQGRGPDDLQRLVPLLDSNRLEAQCIGAFYLCAEAAIKS
LQGKTKVFSDIGAIQSLKRLVSYSTNGTKSALAKRALRLLGEEVPRPILP
SVPSWKEAEVQTWLQQIGFSKYCESFREQQVDGDLLLRLTEEELQTDLGM
KSGITRKRFFRELTELKTFANYSTCDRSNLADWLGSLDPRFRQYTYGLVS
CGLDRSLLHRVSEQQLLEDCGIHLGVHRARILTAAREMLHSP
Ligand information
Ligand ID
NMN
InChI
InChI=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
InChIKey
DAYLJWODMCOQEW-TURQNECASA-O
SMILES
Software
SMILES
CACTVS 3.341
NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N
CACTVS 3.341
NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0
c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N
ACDLabs 10.04
O=C(c1ccc[n+](c1)C2OC(C(O)C2O)COP(=O)(O)O)N
Formula
C11 H16 N2 O8 P
Name
BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE;
NICOTINAMIDE MONONUCLEOTIDE
ChEMBL
DrugBank
ZINC
ZINC000004228273
PDB chain
8gni Chain A Residue 1001 [
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Receptor-Ligand Complex Structure
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PDB
8gni
A conformation-specific nanobody targeting the nicotinamide mononucleotide-activated state of SARM1.
Resolution
3.74 Å
Binding residue
(original residue number in PDB)
W103 R110 E149 Q150 L152 R157 H190 K193 D317 S319
Binding residue
(residue number reindexed from 1)
W46 R53 E92 Q93 L95 R100 H133 K136 D260 S262
Annotation score
2
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:0005515
protein binding
GO:0016787
hydrolase activity
GO:0035591
signaling adaptor activity
GO:0050135
NADP+ nucleosidase activity
GO:0061809
NAD+ nucleotidase, cyclic ADP-ribose generating
Biological Process
GO:0007165
signal transduction
GO:0007399
nervous system development
GO:0009749
response to glucose
GO:0019677
NAD catabolic process
GO:0030154
cell differentiation
GO:0034128
negative regulation of MyD88-independent toll-like receptor signaling pathway
GO:0043523
regulation of neuron apoptotic process
GO:0045087
innate immune response
GO:0048678
response to axon injury
GO:0048814
regulation of dendrite morphogenesis
GO:0050877
nervous system process
GO:0070585
protein localization to mitochondrion
GO:0099010
modification of postsynaptic structure
GO:1905806
regulation of synapse pruning
Cellular Component
GO:0005737
cytoplasm
GO:0005739
mitochondrion
GO:0005741
mitochondrial outer membrane
GO:0005829
cytosol
GO:0005874
microtubule
GO:0009986
cell surface
GO:0015630
microtubule cytoskeleton
GO:0030424
axon
GO:0030425
dendrite
GO:0031594
neuromuscular junction
GO:0032991
protein-containing complex
GO:0042995
cell projection
GO:0045202
synapse
GO:0098978
glutamatergic synapse
GO:0099243
extrinsic component of synaptic membrane
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:8gni
,
PDBe:8gni
,
PDBj:8gni
PDBsum
8gni
PubMed
36550129
UniProt
Q6SZW1
|SARM1_HUMAN NAD(+) hydrolase SARM1 (Gene Name=SARM1)
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