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5S7X

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000376d

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
AALA353
AHOH739
AHOH767
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289
ALYS340

site_idAC2
Number of Residues7
Detailsbinding site for residue EDO A 502
ChainResidue
AHIS259
AILE262
ALEU263
AGLY264
AHIS284
AHIS286
AHOH780

site_idAC3
Number of Residues7
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH696
AHOH714

site_idAC4
Number of Residues5
Detailsbinding site for residue EDO A 504
ChainResidue
AARG445
AVAL450
AHOH630
AHOH636
AHOH770

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

site_idAC6
Number of Residues4
Detailsbinding site for residue DMS A 506
ChainResidue
AHOH713
AHOH723
BARG273
BHOH665

site_idAC7
Number of Residues3
Detailsbinding site for residue TLA A 507
ChainResidue
AARG273
AHIS274
AHOH703

site_idAC8
Number of Residues12
Detailsbinding site for residue LU8 A 508
ChainResidue
AVAL204
AALA205
AARG206
AALA267
ALU8509
AEDO515
AEDO516
AHOH720
BASP269
BTHR271
BGLN278
BTRP280

site_idAC9
Number of Residues13
Detailsbinding site for residue LU8 A 509
ChainResidue
ATRP227
AILE266
AASN459
APHE462
ASER463
ALU8508
AEDO516
AHOH658
AHOH723
BSER272
BARG273
BSER276
BHOH724

site_idAD1
Number of Residues5
Detailsbinding site for residue LGA A 510
ChainResidue
AARG206
AASP207
AILE208
AASP269
ATRP280

site_idAD2
Number of Residues9
Detailsbinding site for residue SO4 A 511
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH641
AHOH663
AHOH671
AHOH731
AHOH794
AHOH834

site_idAD3
Number of Residues7
Detailsbinding site for residue SO4 A 512
ChainResidue
AASN456
APRO458
AASN459
AHOH686
AHOH688
AHOH806
BHIS274

site_idAD4
Number of Residues9
Detailsbinding site for residue SO4 A 513
ChainResidue
AHOH785
AHOH805
AARG380
AASP438
APRO439
AHOH705
AHOH728
AHOH746
AHOH758

site_idAD5
Number of Residues8
Detailsbinding site for residue EDO A 514
ChainResidue
AVAL255
ALEU257
AARG258
AHIS318
AGLY328
AHOH648
AHOH772
AHOH882

site_idAD6
Number of Residues2
Detailsbinding site for residue EDO A 515
ChainResidue
AARG202
ALU8508

site_idAD7
Number of Residues6
Detailsbinding site for residue EDO A 516
ChainResidue
AARG202
AILE423
ASER463
ALU8508
ALU8509
AHOH687

site_idAD8
Number of Residues2
Detailsbinding site for residue EDO A 517
ChainResidue
AARG218
ATYR219

site_idAD9
Number of Residues5
Detailsbinding site for residue EDO A 518
ChainResidue
AARG416
ATYR432
AHOH635
AHOH837
AHOH851

site_idAE1
Number of Residues15
Detailsbinding site for residue LU8 B 501
ChainResidue
BVAL214
BALA233
BLYS235
BGLU248
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BPHE324
BLYS340
BASN341
BLEU343
BHOH755

site_idAE2
Number of Residues9
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH626
BHOH662
BHOH692
BHOH726
BHOH728
BHOH853

site_idAE3
Number of Residues7
Detailsbinding site for residue EDO B 503
ChainResidue
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH658
BHOH751

site_idAE4
Number of Residues2
Detailsbinding site for residue DMS B 504
ChainResidue
BARG490
BLYS493

site_idAE5
Number of Residues4
Detailsbinding site for residue LGA B 505
ChainResidue
BTRP227
BGLU230
BVAL232
BILE266

site_idAE6
Number of Residues5
Detailsbinding site for residue SO4 B 506
ChainResidue
BTHR378
BLYS379
BHOH638
BHOH800
BHOH837

site_idAE7
Number of Residues7
Detailsbinding site for residue EDO B 507
ChainResidue
BHIS259
BGLU260
BILE262
BGLY264
BHIS284
BHIS286
BHOH826

site_idAE8
Number of Residues4
Detailsbinding site for residue EDO B 508
ChainResidue
BTYR479
BGLN480
BASN481
BHOH659

site_idAE9
Number of Residues2
Detailsbinding site for residue EDO B 509
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

220113

PDB entries from 2024-05-22

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