Structure of PDB 6eqs Chain A

Receptor sequence

>6eqsA (length=269) Species: 9606 (Homo sapiens)

ARPSSSMADFRKFFAKAKHIVIISGAGVSAESGVPTFRGAGGYWRKWQAQ
DLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGR
RVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICPA
LSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILE
EVDRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTETTPATN
RFRFHFQGPCGTTLPEALA

3D structure

• PDB: 6eqs Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
• Chain: A
• 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): P35 T36 F37 R38 N108 D110 H125
• 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	A	C166 C169 C207 C212	C133 C136 C174 C179
BS02	BV8	A	G58 A59 G60 E64 F70 R71 Y102 R105 Q140 I142 H158 V221 F223 G224 E225 N226 G249 T250 S251 V254 Y255 N275 T276 E277 C293	G25 A26 G27 E31 F37 R38 Y69 R72 Q107 I109 H125 V188 F190 G191 E192 N193 G216 T217 S218 V221 Y222 N242 T243 E244 C260	PDBbind-CN: -logKd/Ki=6.43,IC50=0.37uM
BS03	BU2	A	L204 P205 R206 E208	L171 P172 R173 E175
BS04	BV8	A	N226 D236 P256 M259 Q263	N193 D203 P223 M226 Q230	PDBbind-CN: -logKd/Ki=6.43,IC50=0.37uM

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)