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5S7M

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000275d

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
ALYS340
AASN341
ALEU343
AALA353
AHOH745
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289
AASP293

site_idAC2
Number of Residues7
Detailsbinding site for residue EDO A 502
ChainResidue
AHIS259
AGLU260
AILE262
AGLY264
AHIS284
AHIS286
ACYS351

site_idAC3
Number of Residues8
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH658
AHOH727
AHOH806

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 504
ChainResidue
AARG445
AVAL450
AHOH711
AHOH793

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

site_idAC6
Number of Residues3
Detailsbinding site for residue DMS A 506
ChainResidue
AHOH605
BARG273
BHIS274

site_idAC7
Number of Residues8
Detailsbinding site for residue LU8 A 507
ChainResidue
AILE266
AASN459
AARG460
APHE462
ASER463
AEDO514
BTHR271
BSER272

site_idAC8
Number of Residues4
Detailsbinding site for residue HVK A 508
ChainResidue
AARG247
AGLU250
AALA358
AMET360

site_idAC9
Number of Residues6
Detailsbinding site for residue HVK A 509
ChainResidue
ATYR294
ALYS345
ALYS346
AHOH701
AHOH826
AHOH834

site_idAD1
Number of Residues9
Detailsbinding site for residue SO4 A 510
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH660
AHOH671
AHOH676
AHOH687
AHOH696
AHOH811

site_idAD2
Number of Residues6
Detailsbinding site for residue SO4 A 511
ChainResidue
AASN456
APRO458
AASN459
AHOH622
AHOH664
BHIS274

site_idAD3
Number of Residues9
Detailsbinding site for residue SO4 A 512
ChainResidue
AARG380
AASP438
APRO439
AHOH633
AHOH684
AHOH722
AHOH751
AHOH753
AHOH814

site_idAD4
Number of Residues9
Detailsbinding site for residue EDO A 513
ChainResidue
AMET256
ALEU257
AARG258
AHIS318
AGLN327
AGLY328
AHOH611
AHOH612
AHOH693

site_idAD5
Number of Residues5
Detailsbinding site for residue EDO A 514
ChainResidue
AASN421
AILE423
ASER463
ALU8507
AHOH649

site_idAD6
Number of Residues4
Detailsbinding site for residue EDO A 515
ChainResidue
ATYR219
AHOH607
AHOH854
AARG218

site_idAD7
Number of Residues4
Detailsbinding site for residue EDO A 516
ChainResidue
AARG416
ATYR432
AHOH601
AHOH692

site_idAD8
Number of Residues16
Detailsbinding site for residue LU8 B 501
ChainResidue
BVAL214
BALA233
BLYS235
BGLU248
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BPHE324
BLYS340
BASN341
BLEU343
BALA353
BHOH744

site_idAD9
Number of Residues9
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH613
BHOH628
BHOH675
BHOH721
BHOH828
BHOH843

site_idAE1
Number of Residues8
Detailsbinding site for residue EDO B 503
ChainResidue
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH646
BHOH727
BHOH809

site_idAE2
Number of Residues1
Detailsbinding site for residue DMS B 504
ChainResidue
BLYS493

site_idAE3
Number of Residues10
Detailsbinding site for residue HVK B 505
ChainResidue
BGLU212
BGLU322
BILE323
BPHE324
BGLN363
BSER364
BHOH603
BHOH737
BHOH788
BHOH839

site_idAE4
Number of Residues2
Detailsbinding site for residue SO4 B 506
ChainResidue
BGLY217
BARG218

site_idAE5
Number of Residues6
Detailsbinding site for residue SO4 B 507
ChainResidue
BTHR378
BLYS379
BHOH622
BHOH629
BHOH639
BHOH732

site_idAE6
Number of Residues9
Detailsbinding site for residue EDO B 508
ChainResidue
BHIS259
BGLU260
BILE262
BLEU263
BGLY264
BHIS284
BHIS286
BCYS351
BHOH654

site_idAE7
Number of Residues4
Detailsbinding site for residue EDO B 509
ChainResidue
BTYR479
BGLN480
BASN481
BHOH821

site_idAE8
Number of Residues5
Detailsbinding site for residue EDO B 510
ChainResidue
APRO374
AHOH632
BVAL419
BGLY422
BHOH911

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
BVAL214
BLYS235
ALYS235
AVAL214

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PDB entries from 2024-05-15

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