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5S78

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010934a

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 Residues13
Detailsbinding site for residue LU8 A 501
ChainResidue
AVAL214
AASN341
ALEU343
AALA353
AHOH732
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289
ALYS340

site_idAC2
Number of Residues8
Detailsbinding site for residue EDO A 502
ChainResidue
AHIS259
AGLU260
AILE262
ALEU263
AGLY264
AHIS284
AHIS286
ACYS351

site_idAC3
Number of Residues7
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH671
AHOH704

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 504
ChainResidue
AARG445
AHOH619
AHOH769
AHOH899

site_idAC5
Number of Residues7
Detailsbinding site for residue EDO A 505
ChainResidue
AARG380
ATYR432
AVAL435
APRO436
AASN437
BASN437
BHOH914

site_idAC6
Number of Residues11
Detailsbinding site for residue LU8 A 506
ChainResidue
AVAL204
AALA205
AARG206
ATRP227
ALU8507
AEDO516
AHOH735
BASP269
BTHR271
BGLN278
BTRP280

site_idAC7
Number of Residues14
Detailsbinding site for residue LU8 A 507
ChainResidue
ATRP227
AILE266
AILE423
AASN459
APHE462
ASER463
ALU8506
AEDO516
AHOH838
AHOH858
BSER272
BARG273
BSER276
BHOH731

site_idAC8
Number of Residues6
Detailsbinding site for residue XGV A 508
ChainResidue
ATHR254
AGLY325
AGLY328
ALYS329
APRO330
AHOH844

site_idAC9
Number of Residues7
Detailsbinding site for residue XGV A 509
ChainResidue
AARG247
AGLU250
ALEU251
AALA358
AVAL359
AMET360
AHOH754

site_idAD1
Number of Residues4
Detailsbinding site for residue XGV A 510
ChainResidue
AASN231
AHIS284
ATYR285
AHOH602

site_idAD2
Number of Residues7
Detailsbinding site for residue SO4 A 511
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH602
AHOH634
AHOH676
AHOH759

site_idAD3
Number of Residues8
Detailsbinding site for residue SO4 A 512
ChainResidue
AASN456
APRO458
AASN459
AHOH628
AHOH755
AHOH773
AHOH826
BHIS274

site_idAD4
Number of Residues9
Detailsbinding site for residue SO4 A 513
ChainResidue
AHOH653
AHOH670
AHOH724
AHOH751
AHOH797
AHOH845
AARG380
AASP438
APRO439

site_idAD5
Number of Residues8
Detailsbinding site for residue EDO A 514
ChainResidue
AVAL255
AMET256
ALEU257
AARG258
AHIS318
AGLY328
AHOH785
AHOH884

site_idAD6
Number of Residues2
Detailsbinding site for residue EDO A 515
ChainResidue
BTRP223
BILE236

site_idAD7
Number of Residues6
Detailsbinding site for residue EDO A 516
ChainResidue
AASN421
AILE423
ASER463
ALU8506
ALU8507
AHOH655

site_idAD8
Number of Residues15
Detailsbinding site for residue LU8 B 501
ChainResidue
BALA233
BLYS235
BGLU248
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BPHE324
BLYS340
BASN341
BLEU343
BALA353
BHOH792

site_idAD9
Number of Residues7
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH627
BHOH662
BHOH668
BHOH717

site_idAE1
Number of Residues8
Detailsbinding site for residue EDO B 503
ChainResidue
BPHE431
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH685
BHOH742

site_idAE2
Number of Residues1
Detailsbinding site for residue DMS B 504
ChainResidue
BLYS493

site_idAE3
Number of Residues5
Detailsbinding site for residue SO4 B 505
ChainResidue
BGLY217
BARG218
BTYR219
BHOH711
BHOH765

site_idAE4
Number of Residues5
Detailsbinding site for residue SO4 B 506
ChainResidue
BTHR378
BLYS379
BHOH603
BHOH763
BHOH830

site_idAE5
Number of Residues4
Detailsbinding site for residue EDO B 507
ChainResidue
BTYR479
BGLN480
BASN481
BHOH827

site_idAE6
Number of Residues3
Detailsbinding site for residue EDO B 508
ChainResidue
AHOH646
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

220113

PDB entries from 2024-05-22

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