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5S7I

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010928a

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 Residues14
Detailsbinding site for residue LU8 A 501
ChainResidue
AVAL214
AASN341
ALEU343
AALA353
AHOH634
AHOH734
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289
ALYS340

site_idAC2
Number of Residues6
Detailsbinding site for residue EDO A 502
ChainResidue
AHIS259
AILE262
ALEU263
AGLY264
AHIS284
AHIS286

site_idAC3
Number of Residues7
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH699
AHOH704

site_idAC4
Number of Residues5
Detailsbinding site for residue EDO A 504
ChainResidue
AVAL303
AARG445
AVAL450
AHOH605
AHOH664

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

site_idAC6
Number of Residues6
Detailsbinding site for residue DMS A 506
ChainResidue
AHIS284
AHOH602
AHOH607
AHOH875
BARG273
BHOH657

site_idAC7
Number of Residues15
Detailsbinding site for residue LU8 A 507
ChainResidue
AARG202
AVAL204
AALA205
AARG206
AALA267
ALU8508
AEDO516
AEDO517
AHOH624
AHOH726
BARG206
BASP269
BTHR271
BGLN278
BTRP280

site_idAC8
Number of Residues14
Detailsbinding site for residue LU8 A 508
ChainResidue
ATRP227
AILE266
AASN459
APHE462
ASER463
ALU8507
AHOH602
AHOH702
BSER272
BARG273
BSER276
BHOH688
BHOH827
BHOH887

site_idAC9
Number of Residues8
Detailsbinding site for residue HV2 A 509
ChainResidue
AGLY215
ALYS216
AGLY217
AARG218
ATYR219
AGLY220
AGLU221
ALYS235

site_idAD1
Number of Residues7
Detailsbinding site for residue HV2 A 510
ChainResidue
ATYR294
ATHR298
ATHR299
ALEU300
AASP301
ASER304
AHOH728

site_idAD2
Number of Residues6
Detailsbinding site for residue HV2 A 511
ChainResidue
ASER483
AALA484
AARG485
ALEU486
ATHR487
AARG490

site_idAD3
Number of Residues9
Detailsbinding site for residue SO4 A 512
ChainResidue
AHOH651
AHOH681
AHOH683
AHOH794
AHIS284
AHIS286
ALYS345
ALYS346
AHOH619

site_idAD4
Number of Residues8
Detailsbinding site for residue SO4 A 513
ChainResidue
AASN456
APRO458
AASN459
AHOH655
AHOH692
AHOH770
AHOH779
BHIS274

site_idAD5
Number of Residues9
Detailsbinding site for residue SO4 A 514
ChainResidue
AARG380
AASP438
APRO439
AHOH644
AHOH712
AHOH749
AHOH755
AHOH756
AHOH785

site_idAD6
Number of Residues5
Detailsbinding site for residue EDO A 515
ChainResidue
ALEU257
AARG258
AHIS318
AGLY328
AHOH693

site_idAD7
Number of Residues4
Detailsbinding site for residue EDO A 516
ChainResidue
AGLN201
AARG202
ALU8507
BILE236

site_idAD8
Number of Residues6
Detailsbinding site for residue EDO A 517
ChainResidue
AARG202
AASN421
AILE423
ASER463
ALU8507
AHOH667

site_idAD9
Number of Residues2
Detailsbinding site for residue EDO A 518
ChainResidue
AGLY217
AARG218

site_idAE1
Number of Residues4
Detailsbinding site for residue EDO A 519
ChainResidue
AARG416
ATYR432
AHOH654
AHOH819

site_idAE2
Number of Residues13
Detailsbinding site for residue LU8 B 501
ChainResidue
BVAL214
BALA233
BLYS235
BGLU248
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BLYS340
BASN341
BLEU343

site_idAE3
Number of Residues9
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH640
BHOH661
BHOH700
BHOH710
BHOH731
BHOH826

site_idAE4
Number of Residues10
Detailsbinding site for residue EDO B 503
ChainResidue
BPHE431
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHV2510
BHOH604
BHOH741
BHOH799

site_idAE5
Number of Residues2
Detailsbinding site for residue DMS B 504
ChainResidue
BARG490
BLYS493

site_idAE6
Number of Residues4
Detailsbinding site for residue HV2 B 505
ChainResidue
AHOH653
BGLU389
BPHE441
BHOH601

site_idAE7
Number of Residues8
Detailsbinding site for residue HV2 B 506
ChainResidue
BGLY215
BLYS216
BGLY220
BGLU221
BVAL222
BLYS235
BHOH602
BHOH647

site_idAE8
Number of Residues9
Detailsbinding site for residue HV2 B 507
ChainResidue
BHIS361
BASN366
BGLN367
BLEU368
BASP394
BCYS395
BPHE396
BHOH658
BHOH752

site_idAE9
Number of Residues5
Detailsbinding site for residue HV2 B 508
ChainResidue
ALYS243
APHE246
AARG247
AGLU250
BHV2509

site_idAF1
Number of Residues7
Detailsbinding site for residue HV2 B 509
ChainResidue
AGLU242
ALYS243
APHE246
BGLU250
BMET360
BHV2508
BHOH696

site_idAF2
Number of Residues7
Detailsbinding site for residue HV2 B 510
ChainResidue
BGLN452
BGLN453
BARG454
BASN456
BPHE462
BEDO503
BHOH604

site_idAF3
Number of Residues5
Detailsbinding site for residue HV2 B 511
ChainResidue
BGLN296
BARG417
BASP426
BTYR427
BHOH637

site_idAF4
Number of Residues7
Detailsbinding site for residue HV2 B 512
ChainResidue
BTYR294
BTHR298
BTHR299
BLEU300
BASP301
BSER304
BHOH754

site_idAF5
Number of Residues7
Detailsbinding site for residue HV2 B 513
ChainResidue
AGLU389
APHE441
BTHR302
BSER420
BASN421
BASP464
BHOH746

site_idAF6
Number of Residues8
Detailsbinding site for residue EDO B 514
ChainResidue
BHIS259
BGLU260
BILE262
BLEU263
BGLY264
BHIS284
BHIS286
BHOH824

site_idAF7
Number of Residues4
Detailsbinding site for residue EDO B 515
ChainResidue
BTYR479
BGLN480
BASN481
BHOH646

site_idAF8
Number of Residues3
Detailsbinding site for residue EDO B 516
ChainResidue
BTYR292
BGLN296
BPRO429

site_idAF9
Number of Residues3
Detailsbinding site for residue EDO B 517
ChainResidue
BLYS428
BPRO429
BHOH642

site_idAG1
Number of Residues3
Detailsbinding site for residue EDO B 518
ChainResidue
BVAL419
BGLY422
BHOH743

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

227344

PDB entries from 2024-11-13

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