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5S7L

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010943a

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 Residues18
Detailsbinding site for residue LU8 A 501
ChainResidue
AGLU212
AASP293
ALYS340
AASN341
ALEU343
AALA353
AASP354
AHOH601
AHOH710
AHOH777
AVAL214
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289

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

site_idAC3
Number of Residues6
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH724

site_idAC4
Number of Residues5
Detailsbinding site for residue EDO A 504
ChainResidue
AARG445
AVAL450
AHOH602
AHOH630
AHOH815

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
BARG273
BHIS274
BHOH678

site_idAC7
Number of Residues11
Detailsbinding site for residue LU8 A 507
ChainResidue
AVAL204
AALA205
AARG206
ATRP227
ALU8508
AEDO514
AHOH686
BASP269
BTHR271
BGLN278
BTRP280

site_idAC8
Number of Residues12
Detailsbinding site for residue LU8 A 508
ChainResidue
ATRP227
AILE266
AILE423
AASN459
APHE462
ASER463
ALU8507
AHOH816
BSER272
BARG273
BSER276
BHOH727

site_idAC9
Number of Residues7
Detailsbinding site for residue XHJ A 509
ChainResidue
AARG307
ALEU310
ASER311
AGLN349
AHOH619
AHOH624
AHOH749

site_idAD1
Number of Residues7
Detailsbinding site for residue SO4 A 510
ChainResidue
AASN456
APRO458
AASN459
AHOH698
AHOH844
BHIS274
BHOH726

site_idAD2
Number of Residues9
Detailsbinding site for residue SO4 A 511
ChainResidue
AARG380
AASP438
APRO439
AHOH660
AHOH727
AHOH731
AHOH753
AHOH772
AHOH819

site_idAD3
Number of Residues9
Detailsbinding site for residue SO4 A 512
ChainResidue
AHOH790
AHIS286
ALYS345
ALYS346
AHOH607
AHOH643
AHOH684
AHOH701
AHOH783

site_idAD4
Number of Residues7
Detailsbinding site for residue EDO A 513
ChainResidue
AMET256
ALEU257
AARG258
AHIS318
AHOH605
AHOH651
AHOH705

site_idAD5
Number of Residues5
Detailsbinding site for residue EDO A 514
ChainResidue
AASN421
AILE423
ASER463
ALU8507
AHOH650

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

site_idAD7
Number of Residues5
Detailsbinding site for residue EDO A 516
ChainResidue
AARG416
ALYS428
ATYR432
AHOH612
AHOH825

site_idAD8
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
BXHJ506
BHOH832

site_idAD9
Number of Residues9
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH618
BHOH669
BHOH703
BHOH704
BHOH721
BHOH822

site_idAE1
Number of Residues8
Detailsbinding site for residue EDO B 503
ChainResidue
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH672
BHOH697
BHOH790

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

site_idAE3
Number of Residues6
Detailsbinding site for residue XHJ B 505
ChainResidue
BARG335
BVAL370
BTYR399
BHOH602
BHOH673
BHOH865

site_idAE4
Number of Residues7
Detailsbinding site for residue XHJ B 506
ChainResidue
BGLU212
BVAL214
BTYR285
BPHE324
BGLN363
BLU8501
BHOH948

site_idAE5
Number of Residues10
Detailsbinding site for residue XHJ B 507
ChainResidue
BMET288
BTYR294
BSER304
BLYS345
BLYS346
BGLY348
BHOH628
BHOH642
BHOH715
BHOH760

site_idAE6
Number of Residues8
Detailsbinding site for residue XHJ B 508
ChainResidue
BTYR252
BARG258
BLEU263
BGLY264
BPHE265
BHOH601
BHOH603
BHOH607

site_idAE7
Number of Residues5
Detailsbinding site for residue SO4 B 509
ChainResidue
BTHR378
BLYS379
BHOH604
BHOH608
BHOH779

site_idAE8
Number of Residues8
Detailsbinding site for residue EDO B 510
ChainResidue
BHIS259
BGLU260
BILE262
BGLY264
BHIS284
BHIS286
BCYS351
BHOH635

site_idAE9
Number of Residues4
Detailsbinding site for residue EDO B 511
ChainResidue
AHOH774
BVAL419
BGLY422
BHOH831

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

220113

PDB entries from 2024-05-22

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