Structure of PDB 6e99 Chain A

Receptor sequence
>6e99A (length=333) Species: 9913 (Bos taurus) [Search protein sequence]
FLAKAKEDFLKKWENPAQNTAHLDQFERIKTLGTGSFGRVMLVKHMETGN
HYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLY
MVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDL
KPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNK
AVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKD
LLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPK
FKGPGDTSNFDDYEEEEIRVSINEKCGKEFSEF
3D structure
PDB6e99 Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
ChainA
Resolution1.88 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D167 K169 N172 D185 T202
Catalytic site (residue number reindexed from 1) D149 K151 N154 D167 T184
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 E128 F130 R134 E171 F188 L199 G201 P203 E204 E231 Y236 F240 D242 I247 D329 E110 F112 R116 E153 F170 L181 G183 P185 E186 E213 Y218 F222 D224 I229 D311
BS02 J0G A G53 F55 G56 V58 A71 K73 L75 E128 E171 L174 T184 D185 G35 F37 G38 V40 A53 K55 L57 E110 E153 L156 T166 D167 MOAD: ic50=1uM
PDBbind-CN: -logKd/Ki=6.00,IC50=1.0uM
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:6e99, PDBe:6e99, PDBj:6e99
PDBsum6e99
PubMed30384606
UniProtP00517|KAPCA_BOVIN cAMP-dependent protein kinase catalytic subunit alpha (Gene Name=PRKACA)

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