Binding site for activator MDL-801 on SIRT6.
You, W., Steegborn, C.(2021) Nat Chem Biol 17: 519-521
Experimental Data Snapshot
Starting Model: experimental
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(2021) Nat Chem Biol 17: 519-521
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
NAD-dependent protein deacetylase sirtuin-6 | 302 | Homo sapiens | Mutation(s): 0  Gene Names: SIRT6, SIR2L6 EC: 2.3.1.286 (PDB Primary Data), 2.4.2 (UniProt), 2.3.1 (UniProt) | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q8N6T7 (Homo sapiens) Explore Q8N6T7  Go to UniProtKB:  Q8N6T7 | |||||
PHAROS:  Q8N6T7 GTEx:  ENSG00000077463  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q8N6T7 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 4 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
AR6 (Subject of Investigation/LOI) Query on AR6 | C [auth A], K [auth B] | [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL
[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE C15 H23 N5 O14 P2 SRNWOUGRCWSEMX-ZQSHOCFMSA-N | |||
PGE Query on PGE | E [auth A] | TRIETHYLENE GLYCOL C6 H14 O4 ZIBGPFATKBEMQZ-UHFFFAOYSA-N | |||
SO4 Query on SO4 | F [auth A] G [auth A] H [auth A] I [auth A] J [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L | |||
ZN Query on ZN | D [auth A], L [auth B] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |
Length ( ? ) | Angle ( ? ) |
---|---|
a = 91.192 | ¦Á = 90 |
b = 91.192 | ¦Â = 90 |
c = 143.997 | ¦Ã = 120 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
XDS | data reduction |
XDS | data scaling |
PHASER | phasing |
PDB_EXTRACT | data extraction |
Funding Organization | Location | Grant Number |
---|---|---|
German Research Foundation (DFG) | Germany | STE1701/15 |