Structure of PDB 6eqs Chain D

Receptor sequence

>6eqsD (length=275) Species: 9606 (Homo sapiens)

GIDPFTARPSSSMADFRKFFAKAKHIVIISGAGVSAESGVPTFRGAGGYW
RKWQAQDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETR
LGKQGRRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYK
SPICPALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENL
DPAILEEVDRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTE
TTPATNRFRFHFQGPCGTTLPEALA

3D structure

• PDB: 6eqs Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
• Chain: D
• 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): P41 T42 F43 R44 N114 D116 H131
• 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	ZN	D	C166 C169 C207 C212	C139 C142 C180 C185
BS02	BV8	D	G58 A59 G60 F70 R71 Y102 R105 Q140 H158 V221 F223 G224 E225 G249 T250 S251 V254 Y255 N275 T276 E277 C293	G31 A32 G33 F43 R44 Y75 R78 Q113 H131 V194 F196 G197 E198 G222 T223 S224 V227 Y228 N248 T249 E250 C266
BS03	BU2	D	H103 E107 G186 K187	H76 E80 G159 K160
BS04	BU2	D	E123 T126	E96 T99

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)