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5S7U

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010938a

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
AASP293
ALYS340
AASN341
ALEU343
AASP354
AEDO516
AHOH697
AVAL222
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289

site_idAC2
Number of Residues7
Detailsbinding site for residue EDO A 502
ChainResidue
AHIS259
AGLU260
AILE262
AGLY264
AHIS284
AHIS286
AHOH728

site_idAC3
Number of Residues7
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AARG454
AASN456
AHOH715
AHOH722
AHOH759

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 504
ChainResidue
AARG445
AVAL450
AHOH674
AHOH726

site_idAC5
Number of Residues7
Detailsbinding site for residue EDO A 505
ChainResidue
AARG380
ATYR432
AVAL435
APRO436
AASN437
BASN437
BHOH795

site_idAC6
Number of Residues4
Detailsbinding site for residue DMS A 506
ChainResidue
AHIS284
AHOH757
BARG273
BHOH635

site_idAC7
Number of Residues12
Detailsbinding site for residue LU8 A 507
ChainResidue
AARG202
AVAL204
AALA205
AARG206
ATRP227
ALU8508
AEDO514
BARG206
BASP269
BTHR271
BGLN278
BTRP280

site_idAC8
Number of Residues13
Detailsbinding site for residue LU8 A 508
ChainResidue
ATRP227
AILE266
AILE423
AASN459
APHE462
ASER463
ALU8507
AHOH610
AHOH757
BSER272
BARG273
BSER276
BHOH709

site_idAC9
Number of Residues7
Detailsbinding site for residue SO4 A 509
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH640
AHOH651
AHOH672
AHOH692

site_idAD1
Number of Residues8
Detailsbinding site for residue SO4 A 510
ChainResidue
AASN456
APRO458
AASN459
AHOH680
AHOH739
AHOH771
BHIS274
BHOH648

site_idAD2
Number of Residues4
Detailsbinding site for residue SO4 A 511
ChainResidue
AARG380
AASP438
APRO439
AHOH659

site_idAD3
Number of Residues6
Detailsbinding site for residue EDO A 512
ChainResidue
ALEU257
AARG258
AHIS318
AGLY328
ALYS329
AHOH800

site_idAD4
Number of Residues2
Detailsbinding site for residue EDO A 513
ChainResidue
AARG202
BGLU221

site_idAD5
Number of Residues6
Detailsbinding site for residue EDO A 514
ChainResidue
AILE423
AARG460
ASER463
ALU8507
AARG202
AASN421

site_idAD6
Number of Residues3
Detailsbinding site for residue EDO A 515
ChainResidue
AGLY217
AARG218
ATYR219

site_idAD7
Number of Residues7
Detailsbinding site for residue EDO A 516
ChainResidue
AGLU248
ATYR252
AILE262
ALEU263
AASP354
ALEU355
ALU8501

site_idAD8
Number of Residues4
Detailsbinding site for residue EDO A 517
ChainResidue
AARG416
AASP426
ATYR432
AHOH655

site_idAD9
Number of Residues14
Detailsbinding site for residue LU8 B 501
ChainResidue
BVAL214
BALA233
BLYS235
BGLU248
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BLYS340
BASN341
BLEU343
BHOH605

site_idAE1
Number of Residues6
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH608
BHOH629
BHOH643

site_idAE2
Number of Residues8
Detailsbinding site for residue EDO B 503
ChainResidue
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH654
BHOH665
BHOH680

site_idAE3
Number of Residues2
Detailsbinding site for residue DMS B 504
ChainResidue
BARG490
BLYS493

site_idAE4
Number of Residues5
Detailsbinding site for residue XGY B 505
ChainResidue
AILE323
AHOH778
BVAL376
BGLU389
BPHE441

site_idAE5
Number of Residues6
Detailsbinding site for residue XGY B 506
ChainResidue
BPRO458
BASN459
BASN459
BARG460
BHOH613
BHOH761

site_idAE6
Number of Residues4
Detailsbinding site for residue SO4 B 507
ChainResidue
BGLY217
BARG218
BTYR219
BHOH705

site_idAE7
Number of Residues7
Detailsbinding site for residue SO4 B 508
ChainResidue
BGLY377
BTHR378
BLYS379
BHOH602
BHOH623
BHOH634
BHOH686

site_idAE8
Number of Residues5
Detailsbinding site for residue EDO B 509
ChainResidue
BGLU260
BILE262
BGLY264
BHIS286
BCYS351

site_idAE9
Number of Residues5
Detailsbinding site for residue EDO B 510
ChainResidue
BTYR479
BGLN480
BASN481
BHOH646
BHOH789

site_idAF1
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

247536

PDB entries from 2026-01-14

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