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5S85

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000884c

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
AHOH607
AHOH767
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289
AASP293

site_idAC2
Number of Residues8
Detailsbinding site for residue EDO A 502
ChainResidue
AHIS259
AGLU260
AASN261
AILE262
ALEU263
AGLY264
AHIS284
AHIS286

site_idAC3
Number of Residues6
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH708

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 504
ChainResidue
AVAL303
AARG445
AHOH611
AHOH655

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
AHOH676
BARG273
BHOH666

site_idAC7
Number of Residues11
Detailsbinding site for residue LU8 A 507
ChainResidue
AVAL204
AALA205
AARG206
AALA267
ALU8508
AEDO517
AEDO518
BASP269
BTHR271
BGLN278
BTRP280

site_idAC8
Number of Residues13
Detailsbinding site for residue LU8 A 508
ChainResidue
ATRP227
AILE266
AILE423
AASN459
APHE462
ASER463
ALU8507
AEDO518
AHOH807
BSER272
BARG273
BSER276
BHOH716

site_idAC9
Number of Residues7
Detailsbinding site for residue XK4 A 509
ChainResidue
ATHR254
AVAL255
AGLY325
AGLY328
ALYS329
APRO330
AHOH680

site_idAD1
Number of Residues9
Detailsbinding site for residue XK4 A 510
ChainResidue
AVAL376
ALYS379
APHE441
AHOH615
AHOH834
BVAL419
BASN421
BGLY422
BHOH834

site_idAD2
Number of Residues1
Detailsbinding site for residue XK4 A 511
ChainResidue
AMET360

site_idAD3
Number of Residues9
Detailsbinding site for residue XK4 A 512
ChainResidue
ALYS400
AARG401
AILE404
AARG485
ALEU486
ATHR487
AHOH603
AHOH616
AHOH706

site_idAD4
Number of Residues9
Detailsbinding site for residue SO4 A 513
ChainResidue
AHOH712
AHOH726
AHOH757
AHIS286
ALYS345
ALYS346
AHOH627
AHOH648
AHOH665

site_idAD5
Number of Residues8
Detailsbinding site for residue SO4 A 514
ChainResidue
AASN456
APRO458
AASN459
AHOH651
AHOH713
AHOH762
AHOH828
BHIS274

site_idAD6
Number of Residues9
Detailsbinding site for residue SO4 A 515
ChainResidue
AARG380
AASP438
APRO439
AHOH635
AHOH721
AHOH725
AHOH734
AHOH747
AHOH801

site_idAD7
Number of Residues7
Detailsbinding site for residue EDO A 516
ChainResidue
AVAL255
ALEU257
AARG258
AHIS318
AGLY328
AHOH659
AHOH666

site_idAD8
Number of Residues1
Detailsbinding site for residue EDO A 517
ChainResidue
ALU8507

site_idAD9
Number of Residues6
Detailsbinding site for residue EDO A 518
ChainResidue
AASN421
AILE423
ASER463
ALU8507
ALU8508
AHOH647

site_idAE1
Number of Residues3
Detailsbinding site for residue EDO A 519
ChainResidue
AGLY217
AARG218
ATYR219

site_idAE2
Number of Residues5
Detailsbinding site for residue EDO A 520
ChainResidue
AARG416
ATYR432
AHOH612
AHOH656
AHOH790

site_idAE3
Number of Residues16
Detailsbinding site for residue LU8 B 501
ChainResidue
BVAL214
BALA233
BLYS235
BGLU248
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BLYS340
BASN341
BLEU343
BALA353
BXK4505
BHOH749

site_idAE4
Number of Residues9
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH624
BHOH653
BHOH684
BHOH736
BHOH765
BHOH851

site_idAE5
Number of Residues9
Detailsbinding site for residue EDO B 503
ChainResidue
BPHE431
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH699
BHOH759
BHOH792

site_idAE6
Number of Residues2
Detailsbinding site for residue DMS B 504
ChainResidue
BARG490
BLYS493

site_idAE7
Number of Residues3
Detailsbinding site for residue XK4 B 505
ChainResidue
BGLU212
BGLN363
BLU8501

site_idAE8
Number of Residues6
Detailsbinding site for residue XK4 B 506
ChainResidue
BHIS361
BASN366
BLEU368
BASP394
BHOH656
BHOH817

site_idAE9
Number of Residues8
Detailsbinding site for residue XK4 B 507
ChainResidue
BLYS400
BARG401
BILE404
BARG485
BLEU486
BTHR487
BHOH703
BHOH754

site_idAF1
Number of Residues4
Detailsbinding site for residue SO4 B 508
ChainResidue
BGLY217
BARG218
BHOH619
BHOH680

site_idAF2
Number of Residues6
Detailsbinding site for residue SO4 B 509
ChainResidue
BTHR378
BLYS379
BHOH605
BHOH679
BHOH728
BHOH832

site_idAF3
Number of Residues8
Detailsbinding site for residue EDO B 510
ChainResidue
BHIS259
BGLU260
BILE262
BGLY264
BHIS284
BHIS286
BHOH718
BHOH793

site_idAF4
Number of Residues5
Detailsbinding site for residue EDO B 511
ChainResidue
BTYR479
BGLN480
BASN481
BHOH649
BHOH848

site_idAF5
Number of Residues3
Detailsbinding site for residue EDO B 512
ChainResidue
BVAL419
BGLY422
BHOH764

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

219869

PDB entries from 2024-05-15

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