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5S7Q

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010944a

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
AALA353
AASP354
AHOH707
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLU287
AGLY289

site_idAC2
Number of Residues7
Detailsbinding site for residue EDO A 502
ChainResidue
AHIS259
AGLU260
AILE262
AGLY264
AHIS284
AHIS286
AHOH776

site_idAC3
Number of Residues8
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH672
AHOH712
AHOH774

site_idAC4
Number of Residues3
Detailsbinding site for residue EDO A 504
ChainResidue
AARG445
AVAL450
AHOH643

site_idAC5
Number of Residues7
Detailsbinding site for residue EDO A 505
ChainResidue
AARG380
ATYR432
AVAL435
APRO436
AASN437
BPRO436
BASN437

site_idAC6
Number of Residues4
Detailsbinding site for residue DMS A 506
ChainResidue
AHIS284
AHOH679
AHOH890
BARG273

site_idAC7
Number of Residues15
Detailsbinding site for residue LU8 A 507
ChainResidue
AARG202
AVAL204
AALA205
AARG206
ATRP227
ALU8508
AEDO513
AEDO514
AHOH676
AHOH729
AHOH882
BASP269
BTHR271
BGLN278
BTRP280

site_idAC8
Number of Residues14
Detailsbinding site for residue LU8 A 508
ChainResidue
AARG202
ATRP227
AGLU230
AILE266
AASN459
APHE462
ASER463
ALU8507
AEDO514
AHOH679
BSER272
BARG273
BSER276
BHOH2031

site_idAC9
Number of Residues8
Detailsbinding site for residue SO4 A 509
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH613
AHOH622
AHOH659
AHOH670
AHOH743

site_idAD1
Number of Residues7
Detailsbinding site for residue SO4 A 510
ChainResidue
AASN456
APRO458
AASN459
AHOH697
AHOH726
AHOH755
BHIS274

site_idAD2
Number of Residues8
Detailsbinding site for residue SO4 A 511
ChainResidue
AARG380
AASN437
AASP438
APRO439
AHOH641
AHOH675
AHOH693
AHOH794

site_idAD3
Number of Residues5
Detailsbinding site for residue EDO A 512
ChainResidue
AGLY328
ALYS329
AHOH783
AVAL255
AMET256

site_idAD4
Number of Residues1
Detailsbinding site for residue EDO A 513
ChainResidue
ALU8507

site_idAD5
Number of Residues6
Detailsbinding site for residue EDO A 514
ChainResidue
AARG202
AASN421
AILE423
ASER463
ALU8507
ALU8508

site_idAD6
Number of Residues1
Detailsbinding site for residue EDO A 515
ChainResidue
ATYR219

site_idAD7
Number of Residues6
Detailsbinding site for residue EDO A 516
ChainResidue
AARG416
ALYS428
ATYR432
AHOH634
AHOH687
AHOH702

site_idAD8
Number of Residues3
Detailsbinding site for residue XJM B 1801
ChainResidue
AHIS318
AILE321
BGLU389

site_idAD9
Number of Residues16
Detailsbinding site for residue LU8 B 1802
ChainResidue
BVAL214
BALA233
BLYS235
BGLU248
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BLYS340
BASN341
BLEU343
BALA353
BASP354
BHOH2082

site_idAE1
Number of Residues8
Detailsbinding site for residue SO4 B 1803
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH1931
BHOH1944
BHOH1952
BHOH1961
BHOH2005

site_idAE2
Number of Residues8
Detailsbinding site for residue EDO B 1804
ChainResidue
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH1976
BHOH2025
BHOH2044

site_idAE3
Number of Residues1
Detailsbinding site for residue DMS B 1805
ChainResidue
BLYS493

site_idAE4
Number of Residues5
Detailsbinding site for residue XJM B 1806
ChainResidue
BMET360
BHIS361
BSER362
BGLN367
BASP369

site_idAE5
Number of Residues4
Detailsbinding site for residue SO4 B 1807
ChainResidue
BGLY217
BARG218
BTYR219
BHOH1908

site_idAE6
Number of Residues5
Detailsbinding site for residue SO4 B 1808
ChainResidue
BTHR378
BLYS379
BHOH1903
BHOH1914
BHOH1987

site_idAE7
Number of Residues4
Detailsbinding site for residue EDO B 1809
ChainResidue
BGLY264
BHIS284
BHIS286
BHOH1991

site_idAE8
Number of Residues4
Detailsbinding site for residue EDO B 1810
ChainResidue
BTYR479
BGLN480
BASN481
BHOH2007

site_idAE9
Number of Residues2
Detailsbinding site for residue EDO B 1811
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
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 2024-07-17

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