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6GI6

Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 5-methyl core.

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
Functional Information from PDB Data
site_idAC1
Number of Residues9
Detailsbinding site for residue EZB A 501
ChainResidue
AVAL214
AVAL222
ALYS235
ATHR283
ATYR285
AHIS286
ALEU343
AALA353
AHOH629

site_idAC2
Number of Residues7
Detailsbinding site for residue SO4 A 502
ChainResidue
AARG380
AASN437
AASP438
APRO439
AEDO510
AHOH653
AHOH691

site_idAC3
Number of Residues5
Detailsbinding site for residue SO4 A 503
ChainResidue
AARG258
APRO458
AASN459
AHOH677
AHOH681

site_idAC4
Number of Residues6
Detailsbinding site for residue SO4 A 504
ChainResidue
AARG206
AMET270
ATHR271
ASER272
AHOH605
AHOH630

site_idAC5
Number of Residues4
Detailsbinding site for residue SO4 A 505
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH637

site_idAC6
Number of Residues1
Detailsbinding site for residue EDO A 506
ChainResidue
AARG224

site_idAC7
Number of Residues4
Detailsbinding site for residue EDO A 507
ChainResidue
AGLU221
ATRP223
AILE236
AGLN278

site_idAC8
Number of Residues3
Detailsbinding site for residue EDO A 508
ChainResidue
ATHR487
AARG490
AHOH604

site_idAC9
Number of Residues4
Detailsbinding site for residue EDO A 509
ChainResidue
AASP433
AARG454
AASN456
AHOH656

site_idAD1
Number of Residues4
Detailsbinding site for residue EDO A 510
ChainResidue
ATHR378
ALYS379
ASO4502
AHOH611

site_idAD2
Number of Residues2
Detailsbinding site for residue EDO A 511
ChainResidue
ALYS379
APHE441

site_idAD3
Number of Residues2
Detailsbinding site for residue EDO A 512
ChainResidue
AARG335
AHOH619

site_idAD4
Number of Residues6
Detailsbinding site for residue EDO A 513
ChainResidue
AHIS320
ALYS400
ATHR487
AALA488
ALEU489
AHOH642

site_idAD5
Number of Residues3
Detailsbinding site for residue EDO A 514
ChainResidue
AASP301
ATHR302
AHOH609

site_idAD6
Number of Residues5
Detailsbinding site for residue EDO A 515
ChainResidue
AARG401
APRO482
ASER483
AARG485
AHOH643

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues22
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. VGKGRYGEVWrGswqgen............VAVK
ChainResidueDetails
AVAL214-LYS235

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IaHrDLKskNILV
ChainResidueDetails
AILE332-VAL344

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
AASP336

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AVAL214
ALYS235

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PDB entries from 2024-07-17

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