Structure of PDB 1veb Chain A

Receptor sequence

>1vebA (length=341) Species: 9913 (Bos taurus) [Search protein sequence]

SEQESVKEFLAKAKEDFLKKWENPAQNTAHLDQFERIKTLGTGSFGRVML
VKHMETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFS
FKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHS
LDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEI
ILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPS
HFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRK
VEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFSEF

3D structure

PDB

1veb Structure-based optimization of novel azepane derivatives as PKB inhibitors

Chain

Resolution

2.89 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	D166 K168 E170 N171 D184 T201
Catalytic site (residue number reindexed from 1)	D157 K159 E161 N162 D175 T192
Enzyme Commision number	2.7.11.11: cAMP-dependent protein kinase.

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	Q84 E127 F129 R133 E170 F187 L198 G200 E203 E230 Y235 P236 F239 A240 D241 D328 Y330	Q75 E118 F120 R124 E161 F178 L189 G191 E194 E221 Y226 P227 F230 A231 D232 D319 Y321
BS02	I05	A	G50 T51 G52 F54 A70 K72 L74 E91 M120 V123 E170 N171 L173 T183 D184 G186	G41 T42 G43 F45 A61 K63 L65 E82 M111 V114 E161 N162 L164 T174 D175 G177	PDBbind-CN: -logKd/Ki=7.41,IC50=39nM BindingDB: IC50=39nM

Gene Ontology

	Molecular Function
GO:0004672	protein kinase activity
GO:0004674	protein serine/threonine kinase activity
GO:0004679	AMP-activated protein kinase activity
GO:0004691	cAMP-dependent protein kinase activity
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0019904	protein domain specific binding
GO:0034237	protein kinase A regulatory subunit binding
GO:0106310	protein serine kinase activity

	Biological Process
GO:0001707	mesoderm formation
GO:0006468	protein phosphorylation
GO:0010737	protein kinase A signaling
GO:0016310	phosphorylation
GO:0018105	peptidyl-serine phosphorylation
GO:0034605	cellular response to heat
GO:1904262	negative regulation of TORC1 signaling

	Cellular Component
GO:0001669	acrosomal vesicle
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005739	mitochondrion
GO:0005829	cytosol
GO:0005886	plasma membrane
GO:0005952	cAMP-dependent protein kinase complex
GO:0031594	neuromuscular junction
GO:0036126	sperm flagellum
GO:0048471	perinuclear region of cytoplasm

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:1veb, PDBe:1veb, PDBj:1veb
PDBsum	1veb
PubMed	14998327
UniProt	P00517\|KAPCA_BOVIN cAMP-dependent protein kinase catalytic subunit alpha (Gene Name=PRKACA)

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