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6GIN

Crystal structure of the ACVR1 (ALK2) kinase in complex with an Quinazolinone based ALK2 inhibitor with a 4-morpholinophenyl solvent accessible group.

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 Residues16
Detailsbinding site for residue IR2 A 501
ChainResidue
AVAL222
AASP293
ALYS340
AASN341
ALEU343
AASP354
AHOH614
AHOH664
AALA233
ALYS235
ALEU263
ATHR283
AHIS284
ATYR285
AHIS286
AGLY289

site_idAC2
Number of Residues5
Detailsbinding site for residue SO4 A 502
ChainResidue
ALEU263
AGLY264
AHIS284
AHIS286
AHOH604

site_idAC3
Number of Residues4
Detailsbinding site for residue SO4 A 503
ChainResidue
AARG380
AASP438
APRO439
AHOH685

site_idAC4
Number of Residues8
Detailsbinding site for residue SO4 A 504
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH627
AHOH631
AHOH643
AHOH658
AHOH660

site_idAC5
Number of Residues5
Detailsbinding site for residue EDO A 505
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456

site_idAC6
Number of Residues7
Detailsbinding site for residue EDO A 506
ChainResidue
AARG380
ATYR432
AVAL435
APRO436
AASN437
AHOH649
AHOH717

site_idAC7
Number of Residues3
Detailsbinding site for residue EDO A 507
ChainResidue
AARG416
AASP426
ATYR432

site_idAC8
Number of Residues13
Detailsbinding site for residue IR2 B 501
ChainResidue
BALA233
BLYS235
BLEU263
BTHR283
BHIS284
BTYR285
BHIS286
BGLY289
BASP293
BASN341
BLEU343
BASP354
BHOH627

site_idAC9
Number of Residues8
Detailsbinding site for residue SO4 B 502
ChainResidue
BARG380
BASN437
BASP438
BPRO439
BHOH609
BHOH634
BHOH661
BHOH673

site_idAD1
Number of Residues9
Detailsbinding site for residue SO4 B 503
ChainResidue
BGLU260
BILE262
BLEU263
BGLY264
BHIS284
BHIS286
BLYS345
BCYS351
BHOH602

site_idAD2
Number of Residues6
Detailsbinding site for residue SO4 B 504
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH625
BHOH645
BHOH649

site_idAD3
Number of Residues5
Detailsbinding site for residue EDO B 505
ChainResidue
BPHE431
BASP433
BARG454
BASN456
BHOH614

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 Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
AASP336
BASP336

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AVAL214
ALYS235
BVAL214
BLYS235

220113

PDB entries from 2024-05-22

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