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3Q4T

Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dorsomorphin

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004675molecular_functiontransmembrane receptor protein serine/threonine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
A0007178biological_processcell surface receptor protein serine/threonine kinase signaling pathway
A0016020cellular_componentmembrane
B0004672molecular_functionprotein kinase activity
B0004675molecular_functiontransmembrane receptor protein serine/threonine kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
B0007178biological_processcell surface receptor protein serine/threonine kinase signaling pathway
B0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE TAK B 1
ChainResidue
AHOH660
BGLY273
BASP277
BLEU329
BLYS198
BALA217
BLYS219
BLEU247
BTHR267
BALA268
BPHE269
BHIS270

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE TAK A 2
ChainResidue
AALA217
ALYS219
ALEU247
ATHR267
AALA268
APHE269
AHIS270
AGLU271
AGLY273
ALEU329

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 489
ChainResidue
BHOH59
BHOH159
BHIS270
BLYS331
BASN332
BHOH515

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 3
ChainResidue
AHOH109
AHOH131
AHOH147
AHIS270
ALYS331
AASN332
AHOH499

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 4
ChainResidue
AHOH132
AHOH144
AARG202
ATHR362
AARG363

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 5
ChainResidue
BARG442
BASP443
BTYR444

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO B 490
ChainResidue
BASN231
BGLU234
BVAL235
BALA344
BLEU345
BLYS346
BHOH618
BHOH619

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 2
ChainResidue
BHOH112
BARG438
BASP463
BHIS464

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 489
ChainResidue
AASN231
AGLU234
AALA344
ALEU345
ALYS346
AHOH530
AHOH558

site_idBC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 490
ChainResidue
AEDO19
AHOH155
AGLU244
AARG298
AHOH622
BLYS198
BALA199
BARG200
BHOH635

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 5
ChainResidue
APHE-3
AGLN-2
ASER-1
ATYR-4
AGLU253
BHOH160

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 6
ChainResidue
AASN332
BTYR411
BGLU416
BHOH611

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 7
ChainResidue
ALYS436
AASP463
AHIS464
AHOH577

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 8
ChainResidue
AASN-6
APRO191
AGLN193
AGLN210
ALEU212

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 9
ChainResidue
BGLN-2
BGLN-2
BHOH89
BHOH613
BHOH637

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 11
ChainResidue
BLYS326
BHOH517
BARG200
BGLY201
BARG202
BLYS324

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 12
ChainResidue
AASP306
AHIS314
AGLU348
AALA349

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 13
ChainResidue
BASN-6
BTYR-4
BLYS226
BLYS254

site_idCC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 14
ChainResidue
AGLU430
AHIS434
AHOH630

site_idCC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 15
ChainResidue
BEDO20
BTHR362
BARG364
BGLN421
BHOH547

site_idCC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 17
ChainResidue
AGLN210
AASN213
ATYR215

site_idCC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 18
ChainResidue
ALYS324
ALYS326
ATHR362
AARG364
AHOH517

site_idCC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 19
ChainResidue
AHOH155
AHIS291
AASN333
ATHR335
AEDO490
AHOH587
BARG200
BLYS326

site_idCC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 20
ChainResidue
BEDO15
BLYS324
BLYS326
BHOH547

site_idCC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 21
ChainResidue
AASN287
BARG363
BLEU425
BHOH536

site_idCC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 22
ChainResidue
BARG255
BGLY256
BHOH528
BHOH528
BHOH600

site_idCC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 23
ChainResidue
ASER424
BHOH181
BTRP286
BHIS448
BHOH563

site_idDC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE PG4 A 16
ChainResidue
ATHR-8
ASER-1
AASN-6
ATYR-4
AHOH142
AHOH568
BHOH45
BALA281
BASN282
BVAL283
BARG400
BGLU410

Functional Information from PROSITE/UniProt
site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IsHrDIKskNVLL
ChainResidueDetails
AILE318-LEU330

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
AASP322
BASP322

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
BLYS198
BLYS219
ALYS198
ALYS219

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PDB entries from 2024-05-01

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