Structure of PDB 6zfx Chain C Binding Site BS02

Receptor Information
>6zfx Chain C (length=635) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAGTEVQDALERALPELQQALSALKQAGGARAVGAGLAEVFQLVEEAWLL
PAVGREVAQGLCDAIRLDGGLDLLLRLLQAPELETRVQAARLLEQILVAE
NRDRVARIGLGVILNLAKEREPVELARSVAGILEHMFKHSEETCQRLVAA
GGLDAVLYWCRRTDPALLRHCALALGNCALHGGQAVQRRMVEKRAAEWLF
PLAFSKEDELLRLHACLAVAVLATNKEVEREVERSGTLALVEPLVASLDP
GRFARCLVDASDTSQGRGPDDLQRLVPLLDSNRLEAQCIGAFYLCAEAAI
KSLQGKTKVFSDIGAIQSLKRLVSYSTNGTKSALAKRALRLLGEEVPRPI
LPSVPSWKEAEVQTWLQQIGFSKYCESFREQQVDGDLLLRLTEEELQTDL
GMKSGITRKRFFRELTELKTFANYSTCDRSNLADWLGSLDPRFRQYTYGL
VSCGLDRSLLHRVSEQQLLEDCGIHLGVHRARILTAAREMLHSPDTPDVF
ISYRRNSGSQLASLLKVHLQLHGFSVFIDVEKLEAGKFEDKLIQSVMGAR
NFVLVLSPGALDKCMQDHDCKDWVHKQIVTALSCGKNIVPIIDGFEWPEP
QVLPEDMQAVLTFNGIKWSHEYQEATIEKIIRFLQ
Ligand information
Ligand IDS1N
InChIInChI=1S/C10H16O2/c1-10(7-5-9-12)6-3-2-4-8-11/h6,8-9H,2-5,7H2,1H3/b10-6+
InChIKeyAFKSPUYAXUNQPA-UXBLZVDNSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(CCC=O)=CCCCC=O
CACTVS 3.385C\C(CCC=O)=C/CCCC=O
OpenEye OEToolkits 2.0.7CC(=CCCCC=O)CCC=O
OpenEye OEToolkits 2.0.7C/C(=C\CCCC=O)/CCC=O
FormulaC10 H16 O2
Name(~{E})-4-methylnon-4-enedial
ChEMBL
DrugBank
ZINC
PDB chain6zfx Chain C Residue 802 [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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PDB6zfx Structural basis for SARM1 inhibition and activation under energetic stress.
Resolution2.88 Å
Binding residue
(original residue number in PDB)		K428 K458
Binding residue
(residue number reindexed from 1)		K373 K403
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: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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6zfx, PDBe:6zfx, PDBj:6zfx
PDBsum6zfx
PubMed33185189
UniProtQ6SZW1|SARM1_HUMAN NAD(+) hydrolase SARM1 (Gene Name=SARM1)

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