Structure of PDB 6eqs Chain C

Receptor sequence

>6eqsC (length=274) Species: 9606 (Homo sapiens)

IDPFTARPSSSMADFRKFFAKAKHIVIISGAGVSAESGVPTFRGAGGYWR
KWQAQDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRL
GKQGRRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKS
PICPALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLD
PAILEEVDRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTET
TPATNRFRFHFQGPCGTTLPEALA

3D structure

• PDB: 6eqs Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
• Chain: C
• Resolution: 1.32 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): P68 T69 F70 R71 N141 D143 H158
• Catalytic site (residue number reindexed from 1): P40 T41 F42 R43 N113 D115 H130
• Enzyme Commision number: 2.3.1.-

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	BU2	C	V253 P280	V225 P252
BS02	ZN	C	C166 C169 C207 C212	C138 C141 C179 C184
BS03	BV8	C	G58 A59 G60 E64 F70 R71 Y102 R105 Q140 H158 V221 F223 G224 E225 G249 T250 S251 V254 Y255 N275 T276 E277 C293	G30 A31 G32 E36 F42 R43 Y74 R77 Q112 H130 V193 F195 G196 E197 G221 T222 S223 V226 Y227 N247 T248 E249 C265

Gene Ontology

Molecular Function

• GO:0036054 protein-malonyllysine demalonylase activity
• GO:0036055 protein-succinyllysine desuccinylase activity
• GO:0070403 NAD+ binding

External links

• PDB: RCSB:6eqs, PDBe:6eqs, PDBj:6eqs
• PDBsum: 6eqs
• PubMed: 29044784
• UniProt: Q9NXA8|SIR5_HUMAN NAD-dependent protein deacylase sirtuin-5, mitochondrial (Gene Name=SIRT5)