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5MZP

Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with caffeine at 2.1A resolution

Functional Information from GO Data
ChainGOidnamespacecontents
A0001609molecular_functionG protein-coupled adenosine receptor activity
A0001973biological_processG protein-coupled adenosine receptor signaling pathway
A0004930molecular_functionG protein-coupled receptor activity
A0005506molecular_functioniron ion binding
A0007186biological_processG protein-coupled receptor signaling pathway
A0009055molecular_functionelectron transfer activity
A0016020cellular_componentmembrane
A0020037molecular_functionheme binding
A0022900biological_processelectron transport chain
A0042597cellular_componentperiplasmic space
A0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues5
Detailsbinding site for residue NA A 2400
ChainResidue
AASP52
ASER91
AHOH2507
AHOH2546
AHOH2573

site_idAC2
Number of Residues12
Detailsbinding site for residue CFF A 2401
ChainResidue
ALEU249
AASN253
AMET270
AILE274
AHOH2527
AHOH2559
AHOH2589
AHOH2668
AVAL84
APHE168
AGLU169
AMET177

site_idAC3
Number of Residues7
Detailsbinding site for residue CLR A 2402
ChainResidue
AALA73
AHIS75
AGLY76
AOLA2420
AOLA2421
AOLC2424
AHOH2558

site_idAC4
Number of Residues8
Detailsbinding site for residue CLR A 2403
ChainResidue
AALA72
AALA73
AGLY76
AILE80
ACLR2405
AOLC2424
AOLC2427
AHOH2544

site_idAC5
Number of Residues7
Detailsbinding site for residue CLR A 2404
ChainResidue
ALEU247
APRO248
ACYS262
ASER263
AOLA2412
AOLC2426
AHOH2570

site_idAC6
Number of Residues7
Detailsbinding site for residue CLR A 2405
ChainResidue
APHE255
APHE258
ACLR2403
AOLA2419
AOLC2424
AOLC2427
AHOH2569

site_idAC7
Number of Residues4
Detailsbinding site for residue OLA A 2406
ChainResidue
APHE44
AALA97
AILE124
AHOH2584

site_idAC8
Number of Residues3
Detailsbinding site for residue OLA A 2407
ChainResidue
AOLA2417
AOLA2417
AHOH2515

site_idAC9
Number of Residues5
Detailsbinding site for residue OLA A 2408
ChainResidue
AILE127
APRO189
ALEU192
AARG199
AOLA2415

site_idAD1
Number of Residues5
Detailsbinding site for residue OLA A 2410
ChainResidue
ASER7
ALEU19
AGLY23
ALEU26
APHE286

site_idAD2
Number of Residues1
Detailsbinding site for residue OLA A 2412
ChainResidue
ACLR2404

site_idAD3
Number of Residues3
Detailsbinding site for residue OLA A 2413
ChainResidue
ASER7
ATHR11
ALEU14

site_idAD4
Number of Residues6
Detailsbinding site for residue OLA A 2414
ChainResidue
AVAL25
ATRP29
ATRP32
APHE201
ALYS233
AOLA2419

site_idAD5
Number of Residues4
Detailsbinding site for residue OLA A 2415
ChainResidue
AARG120
AGLY123
AVAL130
AOLA2408

site_idAD6
Number of Residues2
Detailsbinding site for residue OLA A 2416
ChainResidue
AILE287
AOLA2417

site_idAD7
Number of Residues7
Detailsbinding site for residue OLA A 2417
ChainResidue
AVAL12
ALEU19
ATHR279
APHE286
AOLA2407
AOLA2407
AOLA2416

site_idAD8
Number of Residues1
Detailsbinding site for residue OLA A 2418
ChainResidue
AGLY240

site_idAD9
Number of Residues5
Detailsbinding site for residue OLA A 2419
ChainResidue
ALEU194
APHE201
AALA239
ACLR2405
AOLA2414

site_idAE1
Number of Residues5
Detailsbinding site for residue OLA A 2420
ChainResidue
AHIS75
AMET140
ACLR2402
AOLA2422
AOLA2423

site_idAE2
Number of Residues5
Detailsbinding site for residue OLA A 2421
ChainResidue
ACLR2402
AOLA2422
AOLC2424
ATYR179
APHE258

site_idAE3
Number of Residues10
Detailsbinding site for residue OLA A 2422
ChainResidue
AHIS75
AMET140
ALEU141
AGLY142
AASN144
AASN175
ATYR179
AOLA2420
AOLA2421
AHOH2525

site_idAE4
Number of Residues3
Detailsbinding site for residue OLA A 2423
ChainResidue
APHE133
AOLA2420
AOLC2428

site_idAE5
Number of Residues5
Detailsbinding site for residue OLC A 2424
ChainResidue
APHE258
ACLR2402
ACLR2403
ACLR2405
AOLA2421

site_idAE6
Number of Residues3
Detailsbinding site for residue OLC A 2425
ChainResidue
ASER6
AILE10
AHOH2601

site_idAE7
Number of Residues9
Detailsbinding site for residue OLC A 2426
ChainResidue
AASP261
ACYS262
ALYS1085
ACLR2404
AOLC2427
AOLC2430
AHOH2533
AHOH2570
AHOH2586

site_idAE8
Number of Residues12
Detailsbinding site for residue OLC A 2427
ChainResidue
AVAL57
ALEU58
APRO61
ATHR65
APHE70
ACYS71
AGLN163
ACYS259
AASP261
ACLR2403
ACLR2405
AOLC2426

site_idAE9
Number of Residues6
Detailsbinding site for residue OLC A 2428
ChainResidue
ATYR43
ASER47
AGLY118
ATRP129
APHE133
AOLA2423

site_idAF1
Number of Residues5
Detailsbinding site for residue OLC A 2429
ChainResidue
ACYS28
ATRP32
ATYR43
AVAL46
AALA50

site_idAF2
Number of Residues4
Detailsbinding site for residue OLC A 2430
ChainResidue
ATHR65
ATHR68
AOLC2426
AHOH2595

site_idAF3
Number of Residues12
Detailsbinding site for residue TAR A 2431
ChainResidue
AGLY142
AGLY142
ATRP143
ATRP143
AASN144
AASN144
AASN145
AASN145
AASN175
AASN175
AHOH2617
AHOH2617

Functional Information from PROSITE/UniProt
site_idPS00237
Number of Residues17
DetailsG_PROTEIN_RECEP_F1_1 G-protein coupled receptors family 1 signature. SSIfSLLAIAIDRYIaI
ChainResidueDetails
ASER90-ILE106

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues24
DetailsTRANSMEM: Helical; Name=1
ChainResidueDetails
AVAL8-TRP32

site_idSWS_FT_FI2
Number of Residues28
DetailsTOPO_DOM: Cytoplasmic => ECO:0000269|PubMed:18832607
ChainResidueDetails
ALEU33-ASN42
AASP101-ARG120

site_idSWS_FT_FI3
Number of Residues23
DetailsTRANSMEM: Helical; Name=2
ChainResidueDetails
ATYR43-ILE66

site_idSWS_FT_FI4
Number of Residues46
DetailsTOPO_DOM: Extracellular => ECO:0000269|PubMed:18832607
ChainResidueDetails
ASER67-CYS77
AASN144-PRO173
ACYS259-PRO266

site_idSWS_FT_FI5
Number of Residues22
DetailsTRANSMEM: Helical; Name=3
ChainResidueDetails
ALEU78-ILE100

site_idSWS_FT_FI6
Number of Residues22
DetailsTRANSMEM: Helical; Name=4
ChainResidueDetails
AALA121-TRP143

site_idSWS_FT_FI7
Number of Residues24
DetailsTRANSMEM: Helical; Name=5
ChainResidueDetails
AMET174-LEU198

site_idSWS_FT_FI8
Number of Residues23
DetailsTRANSMEM: Helical; Name=6
ChainResidueDetails
AALA235-PHE258

site_idSWS_FT_FI9
Number of Residues23
DetailsTRANSMEM: Helical; Name=7
ChainResidueDetails
ALEU267-TYR290

site_idSWS_FT_FI10
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:21593763, ECO:0007744|PDB:2YDO
ChainResidueDetails
AGLU169
AASN253
AALA277
AHIS278

site_idSWS_FT_FI11
Number of Residues1
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AALA154

site_idSWS_FT_FI12
Number of Residues2
DetailsBINDING: axial binding residue
ChainResidueDetails
ATRP1007
AILE1102

222624

PDB entries from 2024-07-17

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