2Y02

TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND AGONIST CARMOTEROL

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Functional Information from GO Data

ChainGOidnamespacecontents
A0005769cellular_componentearly endosome
A0005887cellular_componentintegral component of plasma membrane
A0016020cellular_componentmembrane
A0005886cellular_componentplasma membrane
A0004940molecular_functionbeta1-adrenergic receptor activity
A0008144molecular_functiondrug binding
A0042802molecular_functionidentical protein binding
A0005088molecular_functionRas guanyl-nucleotide exchange factor activity
A0031402molecular_functionsodium ion binding
A0071880biological_processadenylate cyclase-activating adrenergic receptor signaling pathway
A0043547biological_processpositive regulation of GTPase activity
A0045823biological_processpositive regulation of heart contraction
B0005769cellular_componentearly endosome
B0005887cellular_componentintegral component of plasma membrane
B0016020cellular_componentmembrane
B0005886cellular_componentplasma membrane
B0004940molecular_functionbeta1-adrenergic receptor activity
B0008144molecular_functiondrug binding
B0042802molecular_functionidentical protein binding
B0005088molecular_functionRas guanyl-nucleotide exchange factor activity
B0031402molecular_functionsodium ion binding
B0071880biological_processadenylate cyclase-activating adrenergic receptor signaling pathway
B0043547biological_processpositive regulation of GTPase activity
B0045823biological_processpositive regulation of heart contraction
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC14BINDING SITE FOR RESIDUE NA A 701
ChainResidue
ACYS192
ATYR193
AASP195
ACYS198

AC210BINDING SITE FOR RESIDUE Y01 A 401
ChainResidue
AGLU130
AARG157
AVAL160
AILE161
ATHR164
AILE214
AHOH2020
BARG205
BALA206
BALA210

AC36BINDING SITE FOR RESIDUE Y01 A 402
ChainResidue
AGLN73
ACYS85
AARG155
ALYS159
ATRP166
A2CV505

AC410BINDING SITE FOR RESIDUE 2CV A 501
ChainResidue
ATRP181
AASP184
AGLU185
AASN204
AALA206
AHOH2021
BVAL160
BTHR164
BY01401
B2CV505

AC52BINDING SITE FOR RESIDUE 2CV A 502
ChainResidue
AALA227
ALEU289

AC65BINDING SITE FOR RESIDUE 2CV A 503
ChainResidue
AARG205
APHE315
BARG148
BARG157
BY01401

AC74BINDING SITE FOR RESIDUE 2CV A 504
ChainResidue
AVAL51
AVAL326
AALA334
AMET338

AC85BINDING SITE FOR RESIDUE 2CV A 505
ChainResidue
AVAL160
ACYS163
AY01402
BGLU185
B2CV501

AC915BINDING SITE FOR RESIDUE WHJ A 601
ChainResidue
ATRP117
AASP121
AASP200
APHE201
AALA208
ASER211
ASER215
APHE306
APHE307
AASN310
APHE325
AVAL326
AASN329
ATYR333
AHOH2010

BC110BINDING SITE FOR RESIDUE Y01 B 401
ChainResidue
AARG205
AALA206
AILE209
A2CV501
A2CV503
AHOH2021
BGLU130
BARG157
BVAL160
BILE161

BC25BINDING SITE FOR RESIDUE Y01 B 402
ChainResidue
BLEU78
BCYS85
BARG155
BLYS159
BTRP166

BC39BINDING SITE FOR RESIDUE 2CV B 501
ChainResidue
AVAL160
ATHR164
A2CV505
BHIS180
BTRP181
BARG183
BASP184
BGLU185
BASN204

BC43BINDING SITE FOR RESIDUE 2CV B 502
ChainResidue
BILE238
BHIS286
BMET296

BC52BINDING SITE FOR RESIDUE 2CV B 503
ChainResidue
AARG157
BARG205

BC61BINDING SITE FOR RESIDUE 2CV B 504
ChainResidue
BLEU47

BC75BINDING SITE FOR RESIDUE 2CV B 505
ChainResidue
AGLU185
A2CV501
BVAL160
BCYS163
BTRP166

BC812BINDING SITE FOR RESIDUE WHJ B 601
ChainResidue
BTRP117
BASP121
BVAL125
BCYS199
BASP200
BALA208
BSER211
BSER215
BPHE306
BASN310
BASN329
BTYR333

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

site_idNumber of ResiduesDetails
2CV_2y02_A_50410HEGA-10 binding site
ChainResidueligand
AMET442CV: HEGA-10
ALEU472CV: HEGA-10
AVAL512CV: HEGA-10
AVAL1022CV: HEGA-10
AVAL326-ALA3272CV: HEGA-10
ATRP330-LEU3312CV: HEGA-10
AALA3342CV: HEGA-10
AMET3382CV: HEGA-10

Y01_2y02_A_40214CHOLESTEROL HEMISUCCINATE binding site
ChainResidueligand
AGLN73Y01: CHOLESTEROL HEMISUCCINATE
ALEU78Y01: CHOLESTEROL HEMISUCCINATE
ATHR81-SER82Y01: CHOLESTEROL HEMISUCCINATE
ACYS85Y01: CHOLESTEROL HEMISUCCINATE
AVAL89Y01: CHOLESTEROL HEMISUCCINATE
ALEU93Y01: CHOLESTEROL HEMISUCCINATE
ALEU120Y01: CHOLESTEROL HEMISUCCINATE
ALEU123Y01: CHOLESTEROL HEMISUCCINATE
AARG155Y01: CHOLESTEROL HEMISUCCINATE
ALYS159Y01: CHOLESTEROL HEMISUCCINATE
AILE162-CYS163Y01: CHOLESTEROL HEMISUCCINATE
ATRP166Y01: CHOLESTEROL HEMISUCCINATE

WHJ_2y02_A_60122CARMOTEROL binding site
ChainResidueligand
ATRP117-THR118WHJ: CARMOTEROL
AASP121-VAL122WHJ: CARMOTEROL
AVAL125WHJ: CARMOTEROL
AASP200-PHE201WHJ: CARMOTEROL
ATHR203WHJ: CARMOTEROL
ATYR207-ALA208WHJ: CARMOTEROL
ASER211-SER212WHJ: CARMOTEROL
ASER215WHJ: CARMOTEROL
ATRP303WHJ: CARMOTEROL
APHE306-PHE307WHJ: CARMOTEROL
AASN310WHJ: CARMOTEROL
APHE325-VAL326WHJ: CARMOTEROL
AASN329-TRP330WHJ: CARMOTEROL
ATYR333WHJ: CARMOTEROL

2CV_2y02_A_50510HEGA-10 binding site
ChainResidueligand
ALEU1232CV: HEGA-10
ALYS159-VAL1602CV: HEGA-10
ACYS1632CV: HEGA-10
ATRP166-ALA1672CV: HEGA-10
AALA1702CV: HEGA-10
APHE1742CV: HEGA-10
BTRP1812CV: HEGA-10
BGLU1852CV: HEGA-10

Y01_2y02_A_40122CHOLESTEROL HEMISUCCINATE binding site
ChainResidueligand
AGLU130Y01: CHOLESTEROL HEMISUCCINATE
ACYS133-VAL134Y01: CHOLESTEROL HEMISUCCINATE
AILE137Y01: CHOLESTEROL HEMISUCCINATE
AARG157Y01: CHOLESTEROL HEMISUCCINATE
AVAL160-ILE161Y01: CHOLESTEROL HEMISUCCINATE
ATHR164-VAL165Y01: CHOLESTEROL HEMISUCCINATE
AILE168Y01: CHOLESTEROL HEMISUCCINATE
AVAL172Y01: CHOLESTEROL HEMISUCCINATE
AILE214Y01: CHOLESTEROL HEMISUCCINATE
AILE218-PRO219Y01: CHOLESTEROL HEMISUCCINATE
AILE222Y01: CHOLESTEROL HEMISUCCINATE
BARG205-ALA206Y01: CHOLESTEROL HEMISUCCINATE
BILE209-ALA210Y01: CHOLESTEROL HEMISUCCINATE
BILE213-ILE214Y01: CHOLESTEROL HEMISUCCINATE
BILE218Y01: CHOLESTEROL HEMISUCCINATE

2CV_2y02_A_50210HEGA-10 binding site
ChainResidueligand
AALA1362CV: HEGA-10
AARG1392CV: HEGA-10
AALA2272CV: HEGA-10
AVAL230-TYR2312CV: HEGA-10
ALEU289-LYS2902CV: HEGA-10
ALEU292-GLY2932CV: HEGA-10
AMET2962CV: HEGA-10

2CV_2y02_B_50310HEGA-10 binding site
ChainResidueligand
ALEU152-MET1532CV: HEGA-10
AARG1572CV: HEGA-10
AILE1612CV: HEGA-10
BARG2052CV: HEGA-10
BILE2092CV: HEGA-10
BVAL314-ARG3172CV: HEGA-10

2CV_2y02_B_50119HEGA-10 binding site
ChainResidueligand
AVAL1602CV: HEGA-10
ATHR1642CV: HEGA-10
AALA167-ILE1682CV: HEGA-10
ALEU171-VAL1722CV: HEGA-10
BPRO1762CV: HEGA-10
BHIS180-GLU1852CV: HEGA-10
BASN2042CV: HEGA-10
BALA206-TYR2072CV: HEGA-10
BALA210-SER2112CV: HEGA-10
BILE2142CV: HEGA-10

2CV_2y02_A_50118HEGA-10 binding site
ChainResidueligand
AVAL1722CV: HEGA-10
APRO1762CV: HEGA-10
AHIS180-TRP1812CV: HEGA-10
AARG183-GLU1852CV: HEGA-10
AASN2042CV: HEGA-10
AALA206-TYR2072CV: HEGA-10
AALA210-SER2112CV: HEGA-10
AILE2142CV: HEGA-10
BVAL1602CV: HEGA-10
BTHR1642CV: HEGA-10
BALA167-ILE1682CV: HEGA-10
BLEU1712CV: HEGA-10

2CV_2y02_B_50510HEGA-10 binding site
ChainResidueligand
ATRP1812CV: HEGA-10
AGLU1852CV: HEGA-10
BLEU1232CV: HEGA-10
BLYS159-VAL1602CV: HEGA-10
BCYS1632CV: HEGA-10
BTRP166-ALA1672CV: HEGA-10
BALA1702CV: HEGA-10
BPHE1742CV: HEGA-10

Y01_2y02_B_40122CHOLESTEROL HEMISUCCINATE binding site
ChainResidueligand
AARG205-ALA206Y01: CHOLESTEROL HEMISUCCINATE
AILE209-ALA210Y01: CHOLESTEROL HEMISUCCINATE
AILE213-ILE214Y01: CHOLESTEROL HEMISUCCINATE
AILE218Y01: CHOLESTEROL HEMISUCCINATE
BGLU130Y01: CHOLESTEROL HEMISUCCINATE
BCYS133-VAL134Y01: CHOLESTEROL HEMISUCCINATE
BILE137Y01: CHOLESTEROL HEMISUCCINATE
BARG157Y01: CHOLESTEROL HEMISUCCINATE
BVAL160-ILE161Y01: CHOLESTEROL HEMISUCCINATE
BTHR164-VAL165Y01: CHOLESTEROL HEMISUCCINATE
BILE168Y01: CHOLESTEROL HEMISUCCINATE
BVAL172Y01: CHOLESTEROL HEMISUCCINATE
BILE214Y01: CHOLESTEROL HEMISUCCINATE
BILE218-PRO219Y01: CHOLESTEROL HEMISUCCINATE
BILE222Y01: CHOLESTEROL HEMISUCCINATE

2CV_2y02_A_50311HEGA-10 binding site
ChainResidueligand
AARG2052CV: HEGA-10
AILE2092CV: HEGA-10
AVAL314-PHE3152CV: HEGA-10
AARG3172CV: HEGA-10
BILE1372CV: HEGA-10
BARG1482CV: HEGA-10
BLEU152-MET1532CV: HEGA-10
BARG1572CV: HEGA-10
BILE1612CV: HEGA-10

2CV_2y02_B_5046HEGA-10 binding site
ChainResidueligand
BMET442CV: HEGA-10
BLEU47-MET482CV: HEGA-10
BVAL512CV: HEGA-10
BVAL1022CV: HEGA-10
BTRP3302CV: HEGA-10

Y01_2y02_B_40214CHOLESTEROL HEMISUCCINATE binding site
ChainResidueligand
BLEU78Y01: CHOLESTEROL HEMISUCCINATE
BTHR81-SER82Y01: CHOLESTEROL HEMISUCCINATE
BCYS85Y01: CHOLESTEROL HEMISUCCINATE
BVAL89Y01: CHOLESTEROL HEMISUCCINATE
BLEU93Y01: CHOLESTEROL HEMISUCCINATE
BLEU120Y01: CHOLESTEROL HEMISUCCINATE
BLEU123Y01: CHOLESTEROL HEMISUCCINATE
BARG155Y01: CHOLESTEROL HEMISUCCINATE
BLYS159Y01: CHOLESTEROL HEMISUCCINATE
BILE162-CYS163Y01: CHOLESTEROL HEMISUCCINATE
BTRP166Y01: CHOLESTEROL HEMISUCCINATE
BPHE174Y01: CHOLESTEROL HEMISUCCINATE

WHJ_2y02_B_60123CARMOTEROL binding site
ChainResidueligand
BLEU101WHJ: CARMOTEROL
BTRP117-THR118WHJ: CARMOTEROL
BASP121-VAL122WHJ: CARMOTEROL
BVAL125WHJ: CARMOTEROL
BCYS199-PHE201WHJ: CARMOTEROL
BTHR203WHJ: CARMOTEROL
BTYR207-ALA208WHJ: CARMOTEROL
BSER211-SER212WHJ: CARMOTEROL
BSER215WHJ: CARMOTEROL
BTRP303WHJ: CARMOTEROL
BPHE306-PHE307WHJ: CARMOTEROL
BASN310WHJ: CARMOTEROL
BPHE325-VAL326WHJ: CARMOTEROL
BASN329WHJ: CARMOTEROL
BTYR333WHJ: CARMOTEROL

2CV_2y02_B_50215HEGA-10 binding site
ChainResidueligand
BALA1362CV: HEGA-10
BARG1392CV: HEGA-10
BALA2272CV: HEGA-10
BVAL230-TYR2312CV: HEGA-10
BALA234-LYS2352CV: HEGA-10
BILE2382CV: HEGA-10
BMET2832CV: HEGA-10
BHIS2862CV: HEGA-10
BLEU289-LYS2902CV: HEGA-10
BLEU292-GLY2932CV: HEGA-10
BMET2962CV: HEGA-10

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
PS0023734G-protein coupled receptors family 1 signature. [GSTALIVMFYWC]-[GSTANCPDE]-{EDPKRH}-x-{PQ}-[LIVMNQGA]-{RK}-{RK}-[LIVMFT]
ChainResidueDetails
AALA127-ILE143
BALA127-ILE143

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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
SWS_FT_FI11Agonist or antagonist.
ChainResidueDetails
AASP91

SWS_FT_FI21Agonist or antagonist. {ECO:0000250}.
ChainResidueDetails
ATHR96

SWS_FT_FI326Helical; Name=5.
ChainResidueDetails
AALA176-TYR201

SWS_FT_FI430Helical; Name=6.
ChainResidueDetails
AHIS228-PHE257

SWS_FT_FI529Helical; Name=1.
ChainResidueDetails
AGLN9-GLY37

SWS_FT_FI623Helical; Name=7.
ChainResidueDetails
APRO263-TYR285

SWS_FT_FI727Helical; Name=2.
ChainResidueDetails
AASN47-VAL73

SWS_FT_FI822Helical; Name=3.
ChainResidueDetails
ALEU86-ILE107

SWS_FT_FI924Helical; Name=4.
ChainResidueDetails
AALA126-MET149

SWS_FT_FI101Agonist or antagonist.
ChainResidueDetails
BASP91

SWS_FT_FI111Agonist or antagonist. {ECO:0000250}.
ChainResidueDetails
BTHR96

SWS_FT_FI1226Helical; Name=5.
ChainResidueDetails
BALA176-TYR201

SWS_FT_FI1330Helical; Name=6.
ChainResidueDetails
BHIS228-PHE257

SWS_FT_FI1429Helical; Name=1.
ChainResidueDetails
BGLN9-GLY37

SWS_FT_FI1523Helical; Name=7.
ChainResidueDetails
BPRO263-TYR285

SWS_FT_FI1627Helical; Name=2.
ChainResidueDetails
BASN47-VAL73

SWS_FT_FI1722Helical; Name=3.
ChainResidueDetails
BLEU86-ILE107

SWS_FT_FI1824Helical; Name=4.
ChainResidueDetails
BALA126-MET149

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Catalytic Information from CSA

site_idNumber of ResiduesDetails