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5S75

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010913a

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
AGLU212
AASP293
ALYS340
AASN341
ALEU343
AALA353
AHOH642
AHOH747
AVAL214
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289

site_idAC2
Number of Residues7
Detailsbinding site for residue EDO A 502
ChainResidue
AHIS259
AILE262
ALEU263
AGLY264
AHIS284
AHIS286
AHOH810

site_idAC3
Number of Residues7
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH718
AHOH750

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 504
ChainResidue
AVAL303
AARG445
AHOH607
AHOH616

site_idAC5
Number of Residues7
Detailsbinding site for residue EDO A 505
ChainResidue
AARG380
ATYR432
AVAL435
APRO436
AASN437
BPRO436
BASN437

site_idAC6
Number of Residues5
Detailsbinding site for residue DMS A 506
ChainResidue
AHOH602
AHOH617
AHOH654
BARG273
BHOH655

site_idAC7
Number of Residues3
Detailsbinding site for residue SRT A 507
ChainResidue
AARG273
AHIS274
ASER275

site_idAC8
Number of Residues13
Detailsbinding site for residue LU8 A 508
ChainResidue
AVAL204
AALA205
AARG206
AALA267
ALU8509
AEDO516
AEDO517
AHOH772
BASP269
BTHR271
BGLN278
BTRP280
BHOH610

site_idAC9
Number of Residues12
Detailsbinding site for residue LU8 A 509
ChainResidue
ATRP227
AILE266
AASN459
APHE462
ASER463
ALU8508
AEDO517
AHOH617
AHOH721
BSER272
BARG273
BHOH732

site_idAD1
Number of Residues4
Detailsbinding site for residue HUH A 510
ChainResidue
AGLU322
AILE323
ALYS329
APRO330

site_idAD2
Number of Residues4
Detailsbinding site for residue HUH A 511
ChainResidue
AHOH602
AHOH610
AHOH857
AHOH927

site_idAD3
Number of Residues9
Detailsbinding site for residue SO4 A 512
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH625
AHOH653
AHOH690
AHOH706
AHOH712
AHOH741

site_idAD4
Number of Residues7
Detailsbinding site for residue SO4 A 513
ChainResidue
AASN456
APRO458
AASN459
AHOH667
AHOH703
AHOH825
BHIS274

site_idAD5
Number of Residues8
Detailsbinding site for residue SO4 A 514
ChainResidue
AASP438
APRO439
AHOH695
AHOH764
AHOH769
AHOH784
AHOH798
AARG380

site_idAD6
Number of Residues7
Detailsbinding site for residue EDO A 515
ChainResidue
AMET256
ALEU257
AARG258
AHIS318
AGLY328
AHOH671
AHOH753

site_idAD7
Number of Residues3
Detailsbinding site for residue EDO A 516
ChainResidue
AARG202
ALU8508
BILE236

site_idAD8
Number of Residues8
Detailsbinding site for residue EDO A 517
ChainResidue
AARG202
AASN421
AILE423
AARG460
ASER463
ALU8508
ALU8509
AHOH688

site_idAD9
Number of Residues3
Detailsbinding site for residue EDO A 518
ChainResidue
AGLY217
AARG218
ATYR219

site_idAE1
Number of Residues4
Detailsbinding site for residue EDO A 519
ChainResidue
AARG416
ATYR432
AHOH756
AHOH802

site_idAE2
Number of Residues15
Detailsbinding site for residue LU8 B 501
ChainResidue
BVAL214
BALA233
BLYS235
BGLU248
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BLYS340
BASN341
BLEU343
BALA353
BHOH768

site_idAE3
Number of Residues9
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH643
BHOH673
BHOH707
BHOH713
BHOH734
BHOH853

site_idAE4
Number of Residues8
Detailsbinding site for residue EDO B 503
ChainResidue
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH701
BHOH751
BHOH810

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

site_idAE6
Number of Residues4
Detailsbinding site for residue HUH B 505
ChainResidue
BSER362
BSER364
BTHR365
BHUH506

site_idAE7
Number of Residues6
Detailsbinding site for residue HUH B 506
ChainResidue
BGLU322
BILE323
BLYS329
BPRO330
BSER362
BHUH505

site_idAE8
Number of Residues4
Detailsbinding site for residue SO4 B 507
ChainResidue
BGLY217
BARG218
BTYR219
BHOH685

site_idAE9
Number of Residues7
Detailsbinding site for residue SO4 B 508
ChainResidue
BTHR378
BLYS379
BHOH613
BHOH615
BHOH616
BHOH798
BHOH832

site_idAF1
Number of Residues8
Detailsbinding site for residue EDO B 509
ChainResidue
BHIS259
BGLU260
BILE262
BGLY264
BHIS284
BHIS286
BCYS351
BHOH749

site_idAF2
Number of Residues4
Detailsbinding site for residue EDO B 510
ChainResidue
BTYR479
BGLN480
BASN481
BHOH624

site_idAF3
Number of Residues2
Detailsbinding site for residue EDO B 511
ChainResidue
BVAL419
BGLY422

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
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues18
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

245663

PDB entries from 2025-12-03

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