Structure of PDB 4bv2 Chain A

Receptor sequence

>4bv2A (length=235) Species: 2336 (Thermotoga maritima)

KMKEFLDLLNESRLTVTLTGAGISTPSGIPDFYSQNVFDIDFFYSHPEEF
YRFAKEGIFPMLQAKPNLAHVLLAKLEEKGLIEAVITQNIDRLHQRAGSK
KVIELHGNVEEYYCVRCEKKYTVEDVIKKLESSDVPLCDDCNSLIRPNIV
FFGENLPQDALREAIGLSSRASLMIVLGSSLVVYPAAELPLITVRSGGKL
VIVNLGETPFDDIATLKYNMDVVEFARRVMEEGGI

3D structure

• PDB: 4bv2 Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
• Chain: A
• Resolution: 3.3 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): P31 D32 F33 N99 D101 H116
• Catalytic site (residue number reindexed from 1): P30 D31 F32 N89 D91 H106
• Enzyme Commision number: 2.3.1.286: protein acetyllysine N-acetyltransferase.

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	peptide	A	H116 V160 F162 G163 E164 N165 V193 Y194	H106 V150 F152 G153 E154 N155 V183 Y184
BS02	peptide	A	Y123 E128	Y113 E118
BS03	ZN	A	C124 C127 C148 C151	C114 C117 C138 C141
BS04	OCZ	A	I30 P31 F33 N99 I159	I29 P30 F32 N89 I149
BS05	OAD	A	G21 A22 G23 T26 P27 F33 Q98 H116 F162 S189 S190 N214 L215 M230 D231 V232	G20 A21 G22 T25 P26 F32 Q88 H106 F152 S179 S180 N204 L205 M220 D221 V222

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0016740 transferase activity
• GO:0017136 NAD-dependent histone deacetylase activity
• GO:0034979 NAD-dependent protein lysine deacetylase activity
• GO:0046872 metal ion binding
• GO:0051287 NAD binding
• GO:0070403 NAD+ binding

Biological Process

• GO:0006338 chromatin remodeling
• GO:0006476 protein deacetylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4bv2, PDBe:4bv2, PDBj:4bv2
• PDBsum: 4bv2
• PubMed: 23840057
• UniProt: Q9WYW0|NPD_THEMA NAD-dependent protein deacetylase (Gene Name=cobB)