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3MTF

Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor

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 Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 3
ChainResidue
AHOH140
AHIS286
ALYS345
ALYS346
AHOH548
AHOH557

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 4
ChainResidue
AHIS284
AHIS286
ALYS345
AGLU260
AILE262
AGLY264

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PO4 A 5
ChainResidue
APO48
AHOH42
AHOH121
AARG380
AASN437
AASP438
APRO439
AHOH525
AHOH540

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PO4 A 8
ChainResidue
APO45
AHOH78
AHOH93
ALYS338
ALYS340
ATHR378
AARG380
ATYR381
AHOH609

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 500
ChainResidue
ASER362
AGLN367
AASP369
AHOH558
BSER275

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 501
ChainResidue
AARG380
ATYR432
AVAL435
APRO436
AASN437
AHOH595

site_idAC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 7
ChainResidue
AARG417

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 9
ChainResidue
ATYR432
AASP433
AVAL434
AVAL435

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 10
ChainResidue
ACYS213
BHOH30
BVAL424
BHOH504

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 11
ChainResidue
AEDO12
ALYS400
AALA488
ALEU489
BGLN363

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 12
ChainResidue
AEDO11
AHIS320
ALYS400
ATHR487
AALA488
AHOH574
BHOH515

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 13
ChainResidue
AARG335
ATYR399
AHOH599

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 18
ChainResidue
ALYS243
AASN372
BLYS243

site_idBC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 19
ChainResidue
AHIS274
AARG490

site_idBC6
Number of Residues18
DetailsBINDING SITE FOR RESIDUE A3F A 1
ChainResidue
AALA233
ALYS235
AGLU248
ALEU263
ALEU281
ATHR283
AHIS284
ATYR285
AHIS286
AGLY289
ASER290
AASP293
ALYS340
AASN341
ALEU343
AASP354
AHOH596
BASN459

site_idBC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PO4 B 1
ChainResidue
BPO42
BEDO17
BARG380
BASN437
BASP438
BPRO439
BHOH548
BHOH585

site_idBC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PO4 B 2
ChainResidue
BLYS340
BTHR378
BHOH544
BHOH549
BPO41
BHOH50
BLYS338

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 B 6
ChainResidue
BHOH62
BHOH156
BHIS286
BLYS345
BLYS346
BHOH507

site_idCC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 B 7
ChainResidue
BGLU260
BILE262
BGLY264
BHIS284
BHIS286
BLYS345

site_idCC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 500
ChainResidue
BLYS400
BTHR487
BALA488
BLEU489
BHOH553

site_idCC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO B 8
ChainResidue
BHOH101
BPHE431
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH590

site_idCC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 14
ChainResidue
BHOH97
BHIS259
BSER314
BHIS318
BLYS492

site_idCC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 15
ChainResidue
ATHR249
AASN253
ASER268
BHOH579
BHOH586
BHOH588

site_idCC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 16
ChainResidue
AHOH176
ASER276
ATHR277
BTHR254
BMET360
BASP369

site_idCC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 17
ChainResidue
BPO41
BASN437
BHOH582

site_idCC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 20
ChainResidue
BHIS274
BSER275
BARG490
BLYS497
BHOH593

site_idCC9
Number of Residues15
DetailsBINDING SITE FOR RESIDUE A3F B 501
ChainResidue
BVAL214
BALA233
BLYS235
BGLU248
BLEU263
BLEU281
BTHR283
BHIS284
BHIS286
BGLY289
BASP293
BLYS340
BASN341
BLEU343
BHOH583

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

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PDB entries from 2025-06-11

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