Structure of PDB 4bv2 Chain B

Receptor sequence

>4bv2B (length=230) Species: 2336 (Thermotoga maritima)

MKEFLDLLNESRLTVTLTGAGISTPSGIPDFQNVFDIDFFYSHPEEFYRF
AKEGIFPMLQAKPNLAHVLLAKLEEKGLIEAVITQNIDRLHQRAGSKKVI
ELHGNVEEYYCVRCEKKYTVEDVIKKLEVPLCDDCNSLIRPNIVFFGENL
PQDALREAIGLSSRASLMIVLGSSLVVYPAAELPLITVRSGGKLVIVNLG
ETPFDDIATLKYNMDVVEFARRVMEEGGIS

3D structure

• PDB: 4bv2 Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
• Chain: B
• 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): P29 D30 F31 N86 D88 H103
• 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	B	Y123 E128	Y110 E115
BS02	peptide	B	H116 V160 F162 G163 E164 N165 V192 V193 Y194 P195	H103 V144 F146 G147 E148 N149 V176 V177 Y178 P179
BS03	OCZ	B	I30 P31 F33 N99 I100 I159	I28 P29 F31 N86 I87 I143
BS04	OAD	B	A22 G23 T26 D32 F33 Q98 H116 F162 S189 S190 V193 N214 L215 M230 D231 V232	A20 G21 T24 D30 F31 Q85 H103 F146 S173 S174 V177 N198 L199 M214 D215 V216
BS05	ZN	B	C124 C127 C148 C151	C111 C114 C132 C135

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)