6NJI

Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-49

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Functional Information from GO Data

ChainGOidnamespacecontents
A0016324cellular_componentapical plasma membrane
A0034704cellular_componentcalcium channel complex
A0005813cellular_componentcentrosome
A0005829cellular_componentcytosol
A0016020cellular_componentmembrane
A0031965cellular_componentnuclear membrane
A0005886cellular_componentplasma membrane
A0005891cellular_componentvoltage-gated calcium channel complex
A0004115molecular_function3',5'-cyclic-AMP phosphodiesterase activity
A0004114molecular_function3',5'-cyclic-nucleotide phosphodiesterase activity
A0051117molecular_functionATPase binding
A0031698molecular_functionbeta-2 adrenergic receptor binding
A0030552molecular_functioncAMP binding
A0008144molecular_functiondrug binding
A0019899molecular_functionenzyme binding
A0044325molecular_functionion channel binding
A0046872molecular_functionmetal ion binding
A0097110molecular_functionscaffold protein binding
A0031625molecular_functionubiquitin protein ligase binding
A0086024biological_processadenylate cyclase-activating adrenergic receptor signaling pathway involved in positive regulation of heart rate
A0071875biological_processadrenergic receptor signaling pathway
A0007568biological_processaging
A0006198biological_processcAMP catabolic process
A0019933biological_processcAMP-mediated signaling
A0071320biological_processcellular response to cAMP
A0071872biological_processcellular response to epinephrine stimulus
A0071222biological_processcellular response to lipopolysaccharide
A0061028biological_processestablishment of endothelial barrier
A0007186biological_processG protein-coupled receptor signaling pathway
A0035264biological_processmulticellular organism growth
A0043951biological_processnegative regulation of cAMP-mediated signaling
A0045822biological_processnegative regulation of heart contraction
A0033137biological_processnegative regulation of peptidyl-serine phosphorylation
A1901898biological_processnegative regulation of relaxation of cardiac muscle
A0030593biological_processneutrophil chemotaxis
A0032729biological_processpositive regulation of interferon-gamma production
A0032743biological_processpositive regulation of interleukin-2 production
A0032754biological_processpositive regulation of interleukin-5 production
A0086004biological_processregulation of cardiac muscle cell contraction
A1901844biological_processregulation of cell communication by electrical coupling involved in cardiac conduction
A0002027biological_processregulation of heart rate
A0010880biological_processregulation of release of sequestered calcium ion into cytosol by sarcoplasmic reticulum
A0060314biological_processregulation of ryanodine-sensitive calcium-release channel activity
A0010469biological_processregulation of signaling receptor activity
A0006939biological_processsmooth muscle contraction
A0050852biological_processT cell receptor signaling pathway
B0016324cellular_componentapical plasma membrane
B0034704cellular_componentcalcium channel complex
B0005813cellular_componentcentrosome
B0005829cellular_componentcytosol
B0016020cellular_componentmembrane
B0031965cellular_componentnuclear membrane
B0005886cellular_componentplasma membrane
B0005891cellular_componentvoltage-gated calcium channel complex
B0004115molecular_function3',5'-cyclic-AMP phosphodiesterase activity
B0004114molecular_function3',5'-cyclic-nucleotide phosphodiesterase activity
B0051117molecular_functionATPase binding
B0031698molecular_functionbeta-2 adrenergic receptor binding
B0030552molecular_functioncAMP binding
B0008144molecular_functiondrug binding
B0019899molecular_functionenzyme binding
B0044325molecular_functionion channel binding
B0046872molecular_functionmetal ion binding
B0097110molecular_functionscaffold protein binding
B0031625molecular_functionubiquitin protein ligase binding
B0086024biological_processadenylate cyclase-activating adrenergic receptor signaling pathway involved in positive regulation of heart rate
B0071875biological_processadrenergic receptor signaling pathway
B0007568biological_processaging
B0006198biological_processcAMP catabolic process
B0019933biological_processcAMP-mediated signaling
B0071320biological_processcellular response to cAMP
B0071872biological_processcellular response to epinephrine stimulus
B0071222biological_processcellular response to lipopolysaccharide
B0061028biological_processestablishment of endothelial barrier
B0007186biological_processG protein-coupled receptor signaling pathway
B0035264biological_processmulticellular organism growth
B0043951biological_processnegative regulation of cAMP-mediated signaling
B0045822biological_processnegative regulation of heart contraction
B0033137biological_processnegative regulation of peptidyl-serine phosphorylation
B1901898biological_processnegative regulation of relaxation of cardiac muscle
B0030593biological_processneutrophil chemotaxis
B0032729biological_processpositive regulation of interferon-gamma production
B0032743biological_processpositive regulation of interleukin-2 production
B0032754biological_processpositive regulation of interleukin-5 production
B0086004biological_processregulation of cardiac muscle cell contraction
B1901844biological_processregulation of cell communication by electrical coupling involved in cardiac conduction
B0002027biological_processregulation of heart rate
B0010880biological_processregulation of release of sequestered calcium ion into cytosol by sarcoplasmic reticulum
B0060314biological_processregulation of ryanodine-sensitive calcium-release channel activity
B0010469biological_processregulation of signaling receptor activity
B0006939biological_processsmooth muscle contraction
B0050852biological_processT cell receptor signaling pathway
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC17binding site for residue ZN A 700
ChainResidue
AHIS330
AHIS366
AASP367
AASP484
AMG701
AHOH805
AHOH822

AC27binding site for residue MG A 701
ChainResidue
AASP367
AZN700
AHOH802
AHOH805
AHOH830
AHOH842
AHOH846

AC37binding site for residue KR4 A 702
ChainResidue
AASN487
ATHR499
AGLN535
APHE538
APHE599
AHOH807
AHOH820

AC46binding site for residue ZN B 700
ChainResidue
BHIS330
BHIS366
BASP367
BASP484
BHOH805
BHOH810

AC56binding site for residue MG B 701
ChainResidue
BASP367
BHOH805
BHOH807
BHOH813
BHOH816
BHOH822

AC67binding site for residue KR4 B 702
ChainResidue
BASN487
BTHR499
BGLN535
BPHE538
BPHE599
BHOH804
BHOH812

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
KR4_6nji_A_702242-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol binding site
ChainResidueligand
ATYR325-HIS326KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
AHIS370KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
ASER374KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
AMET439KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
ALEU485KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
AASN487-PRO488KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
ATYR495KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
ATRP498-THR499KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
AILE502-MET503KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
AGLU505-PHE506KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
AMET523KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
ASER534-GLN535KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
APHE538KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
AVAL596KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
APHE599-ILE600KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
ATHR603-PHE604KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol

KR4_6nji_B_702242-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol binding site
ChainResidueligand
BTYR325-HIS326KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BHIS370KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BVAL373-SER374KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BMET439KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BLEU485KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BASN487-PRO488KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BTYR495KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BTRP498-THR499KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BILE502-MET503KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BPHE506KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BMET523KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BSER534-GLN535KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BPHE538KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BVAL596KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BPHE599-ILE600KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
BTHR603-PHE604KR4: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
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Catalytic Information from CSA

site_idNumber of ResiduesDetails