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5S79

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010910a

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
AASN341
ALEU343
AALA353
AASP354
AHOH727
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289
ALYS340

site_idAC2
Number of Residues6
Detailsbinding site for residue EDO A 502
ChainResidue
AGLU260
AILE262
AGLY264
AHIS284
AHIS286
ACYS351

site_idAC3
Number of Residues6
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH673

site_idAC4
Number of Residues3
Detailsbinding site for residue EDO A 504
ChainResidue
AARG445
AVAL450
AHOH662

site_idAC5
Number of Residues8
Detailsbinding site for residue EDO A 505
ChainResidue
AARG380
ATYR432
AVAL435
APRO436
AASN437
BPRO436
BASN437
BHOH839

site_idAC6
Number of Residues2
Detailsbinding site for residue DMS A 506
ChainResidue
BARG273
BHOH686

site_idAC7
Number of Residues10
Detailsbinding site for residue LU8 A 507
ChainResidue
AVAL204
AALA205
AARG206
AASP269
ALU8508
AEDO512
AEDO513
BTHR271
BGLN278
BTRP280

site_idAC8
Number of Residues11
Detailsbinding site for residue LU8 A 508
ChainResidue
ATRP227
AILE266
AASN459
APHE462
ASER463
ALU8507
AHOH674
BSER272
BARG273
BSER276
BHOH856

site_idAC9
Number of Residues8
Detailsbinding site for residue SO4 A 509
ChainResidue
AASN456
APRO458
AASN459
AHOH664
AHOH735
AHOH740
AHOH795
BHIS274

site_idAD1
Number of Residues7
Detailsbinding site for residue SO4 A 510
ChainResidue
AARG380
AASP438
APRO439
AHOH605
AHOH705
AHOH722
AHOH730

site_idAD2
Number of Residues6
Detailsbinding site for residue EDO A 511
ChainResidue
AMET256
ALEU257
AARG258
AHIS318
AGLY328
AHOH631

site_idAD3
Number of Residues1
Detailsbinding site for residue EDO A 512
ChainResidue
ALU8507

site_idAD4
Number of Residues4
Detailsbinding site for residue EDO A 513
ChainResidue
AILE423
ASER463
ALU8507
AHOH650

site_idAD5
Number of Residues3
Detailsbinding site for residue EDO A 514
ChainResidue
AGLY217
AARG218
ATYR219

site_idAD6
Number of Residues6
Detailsbinding site for residue EDO A 515
ChainResidue
AARG416
ALYS428
ATYR432
AHOH632
AHOH684
AHOH781

site_idAD7
Number of Residues15
Detailsbinding site for residue LU8 B 501
ChainResidue
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BLYS340
BASN341
BLEU343
BALA353
BHOH756
BVAL214
BALA233
BLYS235
BGLU248

site_idAD8
Number of Residues9
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH625
BHOH626
BHOH648
BHOH650
BHOH671
BHOH773

site_idAD9
Number of Residues6
Detailsbinding site for residue EDO B 503
ChainResidue
BASP433
BGLN453
BARG454
BASN456
BHOH732
BHOH743

site_idAE1
Number of Residues2
Detailsbinding site for residue DMS B 504
ChainResidue
BARG490
BLYS493

site_idAE2
Number of Residues5
Detailsbinding site for residue PZO B 505
ChainResidue
BSER244
BASP336
BASP354
BARG375
BHOH696

site_idAE3
Number of Residues5
Detailsbinding site for residue PZO B 506
ChainResidue
ALYS493
ATHR496
BASP388
BCYS449
BHOH640

site_idAE4
Number of Residues5
Detailsbinding site for residue PZO B 507
ChainResidue
BMET288
BTYR294
BLYS345
BLYS346
BPZO508

site_idAE5
Number of Residues6
Detailsbinding site for residue PZO B 508
ChainResidue
BTYR294
BARG307
BILE308
BVAL344
BGLY348
BPZO507

site_idAE6
Number of Residues2
Detailsbinding site for residue SO4 B 509
ChainResidue
BGLY217
BARG218

site_idAE7
Number of Residues5
Detailsbinding site for residue SO4 B 510
ChainResidue
BTHR378
BLYS379
BHOH618
BHOH679
BHOH702

site_idAE8
Number of Residues5
Detailsbinding site for residue EDO B 511
ChainResidue
BTYR479
BGLN480
BASN481
BHOH676
BHOH814

site_idAE9
Number of Residues4
Detailsbinding site for residue EDO B 512
ChainResidue
BVAL419
BGLY422
BHOH703
BHOH763

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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