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5S84

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010949a

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 Residues15
Detailsbinding site for residue LU8 A 501
ChainResidue
AVAL214
AASN341
ALEU343
AALA353
AASP354
AHOH602
AHOH741
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289
ALYS340

site_idAC2
Number of Residues7
Detailsbinding site for residue EDO A 502
ChainResidue
AHIS259
AGLU260
AILE262
ALEU263
AGLY264
AHIS284
AHIS286

site_idAC3
Number of Residues7
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH694
AHOH729

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 504
ChainResidue
AARG445
AHOH657
AHOH844
AHOH888

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

site_idAC6
Number of Residues2
Detailsbinding site for residue TLA A 506
ChainResidue
AARG273
AHIS274

site_idAC7
Number of Residues15
Detailsbinding site for residue LU8 A 507
ChainResidue
AARG202
AVAL204
AALA205
AARG206
ATRP227
AALA267
ALU8508
AEDO513
AEDO514
AHOH720
AHOH769
BASP269
BTHR271
BGLN278
BTRP280

site_idAC8
Number of Residues12
Detailsbinding site for residue LU8 A 508
ChainResidue
ATRP227
AGLU230
AILE266
AASN459
APHE462
ASER463
ALU8507
AXK1509
AEDO514
AHOH640
BSER272
BHOH757

site_idAC9
Number of Residues4
Detailsbinding site for residue XK1 A 509
ChainResidue
AGLU230
AHIS284
ALU8508
AHOH611

site_idAD1
Number of Residues8
Detailsbinding site for residue SO4 A 510
ChainResidue
APRO458
AASN459
AHOH661
AHOH747
AHOH760
AHOH802
AHOH852
BHIS274

site_idAD2
Number of Residues9
Detailsbinding site for residue SO4 A 511
ChainResidue
AARG380
AASP438
APRO439
AHOH655
AHOH711
AHOH755
AHOH775
AHOH776
AHOH820

site_idAD3
Number of Residues9
Detailsbinding site for residue EDO A 512
ChainResidue
AVAL255
AMET256
ALEU257
AARG258
AHIS318
AGLY328
AHOH644
AHOH773
AHOH893

site_idAD4
Number of Residues3
Detailsbinding site for residue EDO A 513
ChainResidue
AARG202
ALU8507
AGLN201

site_idAD5
Number of Residues7
Detailsbinding site for residue EDO A 514
ChainResidue
AARG202
AASN421
AILE423
ASER463
ALU8507
ALU8508
AHOH663

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

site_idAD7
Number of Residues4
Detailsbinding site for residue EDO A 516
ChainResidue
AARG416
ATYR432
AHOH606
AHOH733

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
BHOH825

site_idAD9
Number of Residues9
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH605
BHOH688
BHOH695
BHOH740
BHOH766
BHOH831

site_idAE1
Number of Residues7
Detailsbinding site for residue EDO B 503
ChainResidue
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH666
BHOH760

site_idAE2
Number of Residues2
Detailsbinding site for residue DMS B 504
ChainResidue
BARG490
BLYS493

site_idAE3
Number of Residues4
Detailsbinding site for residue SO4 B 505
ChainResidue
BGLY217
BARG218
BTYR219
BHOH634

site_idAE4
Number of Residues6
Detailsbinding site for residue SO4 B 506
ChainResidue
BTHR378
BLYS379
BHOH620
BHOH661
BHOH817
BHOH824

site_idAE5
Number of Residues9
Detailsbinding site for residue EDO B 507
ChainResidue
BHIS259
BGLU260
BILE262
BLEU263
BGLY264
BHIS284
BHIS286
BCYS351
BHOH846

site_idAE6
Number of Residues4
Detailsbinding site for residue EDO B 508
ChainResidue
BTYR479
BGLN480
BASN481
BHOH762

site_idAE7
Number of Residues3
Detailsbinding site for residue EDO B 509
ChainResidue
BVAL419
BGLY422
BHOH709

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
AVAL214
ALYS235
BVAL214
BLYS235

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PDB entries from 2024-09-11

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