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5S86

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010952a

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
AASP354
AHOH605
AHOH758
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289
ALYS340

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

site_idAC3
Number of Residues7
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH679
AHOH795

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 504
ChainResidue
AARG445
AVAL450
AHOH606
AHOH636

site_idAC5
Number of Residues7
Detailsbinding site for residue EDO A 505
ChainResidue
AARG380
ATYR432
AVAL435
APRO436
AASN437
AHOH638
AHOH773

site_idAC6
Number of Residues3
Detailsbinding site for residue DMS A 506
ChainResidue
AHIS284
BARG273
BHOH680

site_idAC7
Number of Residues15
Detailsbinding site for residue LU8 A 507
ChainResidue
AARG202
AVAL204
AALA205
AARG206
ATRP227
AALA267
ALU8508
AEDO514
AEDO515
AHOH711
AHOH892
BASP269
BTHR271
BGLN278
BTRP280

site_idAC8
Number of Residues13
Detailsbinding site for residue LU8 A 508
ChainResidue
ATRP227
AILE266
AILE423
AASN459
APHE462
ASER463
ALU8507
AEDO515
AHOH661
AHOH760
BSER272
BARG273
BHOH708

site_idAC9
Number of Residues5
Detailsbinding site for residue XK7 A 509
ChainResidue
AARG335
AVAL376
AHOH608
AHOH714
AHOH958

site_idAD1
Number of Residues9
Detailsbinding site for residue SO4 A 510
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH635
AHOH662
AHOH700
AHOH705
AHOH710
AHOH747

site_idAD2
Number of Residues7
Detailsbinding site for residue SO4 A 511
ChainResidue
AASN456
APRO458
AASN459
AHOH688
AHOH703
AHOH753
BHIS274

site_idAD3
Number of Residues6
Detailsbinding site for residue SO4 A 512
ChainResidue
AARG380
AASN437
AASP438
APRO439
AHOH765
AHOH773

site_idAD4
Number of Residues8
Detailsbinding site for residue EDO A 513
ChainResidue
ALEU257
AARG258
AHIS318
AGLY328
AHOH610
AHOH744
AVAL255
AMET256

site_idAD5
Number of Residues3
Detailsbinding site for residue EDO A 514
ChainResidue
AARG202
ALU8507
BTRP223

site_idAD6
Number of Residues6
Detailsbinding site for residue EDO A 515
ChainResidue
AARG202
AASN421
AILE423
ASER463
ALU8507
ALU8508

site_idAD7
Number of Residues1
Detailsbinding site for residue EDO A 516
ChainResidue
AARG218

site_idAD8
Number of Residues4
Detailsbinding site for residue EDO A 517
ChainResidue
AARG416
ATYR432
AHOH646
AHOH826

site_idAD9
Number of Residues14
Detailsbinding site for residue LU8 B 501
ChainResidue
BVAL214
BALA233
BLYS235
BGLU248
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BLYS340
BASN341
BLEU343
BHOH786

site_idAE1
Number of Residues8
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH632
BHOH668
BHOH713
BHOH718
BHOH747

site_idAE2
Number of Residues7
Detailsbinding site for residue EDO B 503
ChainResidue
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH738
BHOH766

site_idAE3
Number of Residues2
Detailsbinding site for residue DMS B 504
ChainResidue
BARG490
BLYS493

site_idAE4
Number of Residues6
Detailsbinding site for residue XK7 B 505
ChainResidue
BGLN453
BARG454
BASN456
BPHE462
BHOH653
BHOH699

site_idAE5
Number of Residues6
Detailsbinding site for residue SO4 B 506
ChainResidue
BGLY217
BARG218
BTYR219
BHOH601
BHOH610
BHOH621

site_idAE6
Number of Residues6
Detailsbinding site for residue SO4 B 507
ChainResidue
BTHR378
BLYS379
BHOH615
BHOH616
BHOH646
BHOH823

site_idAE7
Number of Residues9
Detailsbinding site for residue EDO B 508
ChainResidue
BHIS259
BGLU260
BILE262
BGLY264
BHIS284
BHIS286
BCYS351
BHOH752
BHOH827

site_idAE8
Number of Residues5
Detailsbinding site for residue EDO B 509
ChainResidue
BTYR479
BGLN480
BASN481
BHOH677
BHOH837

site_idAE9
Number of Residues4
Detailsbinding site for residue EDO B 510
ChainResidue
BVAL419
BGLY422
BHOH642
BHOH775

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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