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6SRH

Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117

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 LU8 A 501
ChainResidue
AVAL214
ALYS340
AASN341
ALEU343
AALA353
AHOH621
AHOH718
AHOH939
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289
AASP293

site_idAC2
Number of Residues6
Detailsbinding site for residue EDO A 502
ChainResidue
AHIS259
AILE262
AGLY264
AHIS284
AHIS286
AHOH673

site_idAC3
Number of Residues6
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH741

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 504
ChainResidue
AARG445
AVAL450
AHOH644
AHOH889

site_idAC5
Number of Residues6
Detailsbinding site for residue EDO A 505
ChainResidue
AARG380
ATYR432
AVAL435
APRO436
AASN437
BASN437

site_idAC6
Number of Residues4
Detailsbinding site for residue DMS A 506
ChainResidue
AHOH719
BARG273
BHOH699
BHOH842

site_idAC7
Number of Residues3
Detailsbinding site for residue TLA A 507
ChainResidue
AARG273
AHIS274
AHOH611

site_idAC8
Number of Residues9
Detailsbinding site for residue SO4 A 508
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH666
AHOH669
AHOH674
AHOH681
AHOH686
AHOH774

site_idAC9
Number of Residues8
Detailsbinding site for residue SO4 A 509
ChainResidue
AASN456
APRO458
AASN459
AHOH657
AHOH880
BHIS274
BHOH769
BHOH959

site_idAD1
Number of Residues9
Detailsbinding site for residue SO4 A 510
ChainResidue
AARG380
AASP438
APRO439
AHOH652
AHOH703
AHOH759
AHOH760
AHOH779
AHOH835

site_idAD2
Number of Residues6
Detailsbinding site for residue EDO A 511
ChainResidue
AARG416
ALYS428
ATYR432
AHOH639
AHOH845
AHOH851

site_idAD3
Number of Residues5
Detailsbinding site for residue EDO A 512
ChainResidue
AMET256
ALEU257
AARG258
AHIS318
AHOH720

site_idAD4
Number of Residues5
Detailsbinding site for residue EDO A 513
ChainResidue
AGLN201
AARG202
BGLU221
BILE236
BLU8503

site_idAD5
Number of Residues7
Detailsbinding site for residue EDO A 514
ChainResidue
AARG202
AASN421
AILE423
AARG460
ASER463
AHOH691
BLU8503

site_idAD6
Number of Residues1
Detailsbinding site for residue EDO A 515
ChainResidue
AARG218

site_idAD7
Number of Residues17
Detailsbinding site for residue LU8 B 501
ChainResidue
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BPHE324
BLYS340
BASN341
BLEU343
BALA353
BHOH679
BHOH808
BVAL214
BALA233
BLYS235
BGLU248

site_idAD8
Number of Residues12
Detailsbinding site for residue LU8 B 502
ChainResidue
ATRP227
AILE266
AASN459
APHE462
ASER463
AHOH662
BSER272
BARG273
BSER276
BLU8503
BHOH738
BHOH842

site_idAD9
Number of Residues16
Detailsbinding site for residue LU8 B 503
ChainResidue
AARG202
AVAL204
AALA205
AARG206
ATRP227
AALA267
AEDO513
AEDO514
BARG206
BASP269
BTHR271
BGLN278
BTRP280
BLU8502
BHOH754
BHOH761

site_idAE1
Number of Residues8
Detailsbinding site for residue SO4 B 504
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH686
BHOH713
BHOH730
BHOH739
BHOH776

site_idAE2
Number of Residues8
Detailsbinding site for residue EDO B 505
ChainResidue
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH703
BHOH731
BHOH792

site_idAE3
Number of Residues3
Detailsbinding site for residue DMS B 506
ChainResidue
BARG490
BLYS493
BLYS497

site_idAE4
Number of Residues5
Detailsbinding site for residue SO4 B 507
ChainResidue
BGLY217
BARG218
BTYR219
BHOH654
BHOH708

site_idAE5
Number of Residues8
Detailsbinding site for residue SO4 B 508
ChainResidue
BARG218
BTHR378
BLYS379
BHOH624
BHOH635
BHOH661
BHOH779
BHOH819

site_idAE6
Number of Residues4
Detailsbinding site for residue EDO B 509
ChainResidue
APRO374
BVAL419
BGLY422
BHOH718

site_idAE7
Number of Residues8
Detailsbinding site for residue EDO B 510
ChainResidue
BHIS259
BGLU260
BILE262
BGLY264
BHIS286
BCYS351
BHOH677
BHOH903

site_idAE8
Number of Residues4
Detailsbinding site for residue EDO B 511
ChainResidue
BTYR479
BGLN480
BASN481
BHOH645

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 2024-10-09

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