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5S81

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010947a

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
AASP354
AHOH726
AHOH756
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289
AASP293

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

site_idAC3
Number of Residues6
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH678

site_idAC4
Number of Residues5
Detailsbinding site for residue EDO A 504
ChainResidue
AVAL303
AARG445
AVAL450
AHOH620
AHOH802

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
AHOH653
AHOH661
BARG273
BHOH670

site_idAC7
Number of Residues5
Detailsbinding site for residue TLA A 507
ChainResidue
AARG273
AHIS274
AHOH629
AHOH716
AHOH787

site_idAC8
Number of Residues11
Detailsbinding site for residue LU8 A 508
ChainResidue
AVAL204
AALA205
AARG206
AALA267
ALU8509
AEDO516
AHOH724
BASP269
BTHR271
BGLN278
BTRP280

site_idAC9
Number of Residues13
Detailsbinding site for residue LU8 A 509
ChainResidue
ATRP227
AILE266
AASN459
APHE462
ASER463
ALU8508
AEDO516
AHOH659
AHOH661
BSER272
BARG273
BSER276
BHOH751

site_idAD1
Number of Residues6
Detailsbinding site for residue XJV A 510
ChainResidue
AMET256
ALEU257
AARG258
AHIS318
AGLY328
AHOH850

site_idAD2
Number of Residues4
Detailsbinding site for residue XJV A 511
ChainResidue
AASN231
AHIS284
ATYR285
AHOH783

site_idAD3
Number of Residues8
Detailsbinding site for residue SO4 A 512
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH651
AHOH657
AHOH672
AHOH686
AHOH783

site_idAD4
Number of Residues8
Detailsbinding site for residue SO4 A 513
ChainResidue
AASN456
APRO458
AASN459
AHOH703
AHOH713
AHOH760
AHOH820
BHIS274

site_idAD5
Number of Residues7
Detailsbinding site for residue SO4 A 514
ChainResidue
AASP438
APRO439
AHOH637
AHOH669
AHOH769
AHOH808
AARG380

site_idAD6
Number of Residues1
Detailsbinding site for residue EDO A 515
ChainResidue
AARG202

site_idAD7
Number of Residues6
Detailsbinding site for residue EDO A 516
ChainResidue
AARG202
AILE423
ASER463
ALU8508
ALU8509
AHOH673

site_idAD8
Number of Residues3
Detailsbinding site for residue EDO A 517
ChainResidue
AGLY217
AARG218
ATYR219

site_idAD9
Number of Residues5
Detailsbinding site for residue EDO A 518
ChainResidue
AARG416
ATYR432
AHOH625
AHOH645
AHOH813

site_idAE1
Number of Residues17
Detailsbinding site for residue LU8 B 501
ChainResidue
BVAL214
BALA233
BLYS235
BGLU248
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BPHE324
BLYS340
BASN341
BLEU343
BALA353
BHOH654
BHOH777

site_idAE2
Number of Residues9
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH616
BHOH663
BHOH704
BHOH756
BHOH761
BHOH815

site_idAE3
Number of Residues8
Detailsbinding site for residue EDO B 503
ChainResidue
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH676
BHOH696
BHOH772

site_idAE4
Number of Residues2
Detailsbinding site for residue DMS B 504
ChainResidue
BARG490
BLYS493

site_idAE5
Number of Residues7
Detailsbinding site for residue XJV B 505
ChainResidue
BTYR292
BLYS338
BSER339
BLYS340
BTYR381
BTYR427
BSO4509

site_idAE6
Number of Residues5
Detailsbinding site for residue XJV B 506
ChainResidue
BMET288
BTYR294
BLYS346
BTHR365
BHOH700

site_idAE7
Number of Residues5
Detailsbinding site for residue XJV B 507
ChainResidue
BHIS361
BASN366
BLEU368
BASP394
BHOH617

site_idAE8
Number of Residues4
Detailsbinding site for residue XJV B 508
ChainResidue
BTRP227
BILE266
BHOH620
BHOH850

site_idAE9
Number of Residues4
Detailsbinding site for residue SO4 B 509
ChainResidue
BLYS338
BLYS340
BXJV505
BHOH630

site_idAF1
Number of Residues8
Detailsbinding site for residue EDO B 510
ChainResidue
BHIS259
BGLU260
BILE262
BGLY264
BHIS284
BHIS286
BCYS351
BHOH798

site_idAF2
Number of Residues5
Detailsbinding site for residue EDO B 511
ChainResidue
BTYR479
BGLN480
BASN481
BHOH726
BHOH819

site_idAF3
Number of Residues3
Detailsbinding site for residue EDO B 512
ChainResidue
BVAL419
BGLY422
BHOH659

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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