Structure of PDB 6eqs Chain B

Receptor sequence

>6eqsB (length=268) Species: 9606 (Homo sapiens)

RPSSSMADFRKFFAKAKHIVIISGAGVSAESGVPTFRGAGGYWRKWQAQD
LATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGRR
VVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICPAL
SGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEE
VDRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTETTPATNR
FRFHFQGPCGTTLPEALA

3D structure

• PDB: 6eqs Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
• Chain: B
• 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): P34 T35 F36 R37 N107 D109 H124
• 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	B	C166 C169 C207 C212	C132 C135 C173 C178
BS02	BV8	B	G58 A59 G60 E64 T69 F70 R71 Y102 R105 Q140 H158 V221 F223 G224 E225 N226 G249 T250 S251 V254 Y255 N275 T276 E277 P292 C293	G24 A25 G26 E30 T35 F36 R37 Y68 R71 Q106 H124 V187 F189 G190 E191 N192 G215 T216 S217 V220 Y221 N241 T242 E243 P258 C259
BS03	BU2	B	T69 F70 G74 G75 Y76 A82	T35 F36 G40 G41 Y42 A48
BS04	BU2	B	R71 S251	R37 S217
BS05	BV8	B	N226 D236 P256 Q263	N192 D202 P222 Q229

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)