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5S7Y

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010933a

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 Residues17
Detailsbinding site for residue LU8 A 501
ChainResidue
AVAL214
AASP293
ALYS340
AASN341
ALEU343
AALA353
AASP354
AHOH741
AHOH868
AVAL222
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289

site_idAC2
Number of Residues6
Detailsbinding site for residue EDO A 502
ChainResidue
AHIS259
AILE262
AGLY264
AHIS284
AHIS286
AHOH752

site_idAC3
Number of Residues7
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH703
AHOH711

site_idAC4
Number of Residues5
Detailsbinding site for residue EDO A 504
ChainResidue
AARG445
ALYS446
AVAL450
AHOH612
AHOH626

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
AHOH613
AHOH754
BARG273
BHOH676

site_idAC7
Number of Residues14
Detailsbinding site for residue LU8 A 507
ChainResidue
AARG202
AVAL204
AALA205
AARG206
ATRP227
ALU8508
AEDO513
AEDO514
AHOH670
AHOH714
BASP269
BTHR271
BGLN278
BTRP280

site_idAC8
Number of Residues12
Detailsbinding site for residue LU8 A 508
ChainResidue
ATRP227
AILE266
AASN459
APHE462
ASER463
ALU8507
AEDO514
AHOH613
AHOH739
BSER272
BARG273
BHOH717

site_idAC9
Number of Residues9
Detailsbinding site for residue SO4 A 509
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH642
AHOH664
AHOH690
AHOH738
AHOH748
AHOH798

site_idAD1
Number of Residues8
Detailsbinding site for residue SO4 A 510
ChainResidue
AASN456
APRO458
AASN459
AHOH678
AHOH734
AHOH767
AHOH850
BHIS274

site_idAD2
Number of Residues9
Detailsbinding site for residue SO4 A 511
ChainResidue
AARG380
AASP438
APRO439
AHOH647
AHOH696
AHOH740
AHOH750
AHOH759
AHOH833

site_idAD3
Number of Residues8
Detailsbinding site for residue EDO A 512
ChainResidue
AARG258
AHIS318
AGLY328
AHOH606
AHOH788
AHOH909
AVAL255
ALEU257

site_idAD4
Number of Residues4
Detailsbinding site for residue EDO A 513
ChainResidue
AARG202
ALU8507
AHOH670
BILE236

site_idAD5
Number of Residues7
Detailsbinding site for residue EDO A 514
ChainResidue
AARG202
AASN421
AILE423
ASER463
ALU8507
ALU8508
AHOH653

site_idAD6
Number of Residues1
Detailsbinding site for residue EDO A 515
ChainResidue
AARG218

site_idAD7
Number of Residues6
Detailsbinding site for residue EDO A 516
ChainResidue
AARG416
ALYS428
ATYR432
AHOH620
AHOH832
BXJP508

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
BHOH679
BHOH810

site_idAD9
Number of Residues9
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH649
BHOH683
BHOH689
BHOH739
BHOH762
BHOH818

site_idAE1
Number of Residues9
Detailsbinding site for residue EDO B 503
ChainResidue
BPHE431
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH627
BHOH735
BHOH784

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

site_idAE3
Number of Residues6
Detailsbinding site for residue XJP B 505
ChainResidue
AHOH616
AHOH856
BGLU389
BPHE441
BHOH672
BHOH823

site_idAE4
Number of Residues5
Detailsbinding site for residue XJP B 506
ChainResidue
AGLU242
APHE246
BGLU250
BASP369
BHOH648

site_idAE5
Number of Residues5
Detailsbinding site for residue XJP B 507
ChainResidue
BGLN452
BGLN453
BARG454
BASN456
BHOH787

site_idAE6
Number of Residues9
Detailsbinding site for residue XJP B 508
ChainResidue
ATYR432
AASP433
AEDO516
BASN437
BASP438
BHOH608
BHOH632
BHOH825
BHOH855

site_idAE7
Number of Residues4
Detailsbinding site for residue XJP B 509
ChainResidue
BTRP227
BGLN228
BGLU230
BILE266

site_idAE8
Number of Residues4
Detailsbinding site for residue SO4 B 510
ChainResidue
BGLY217
BARG218
BHOH609
BHOH837

site_idAE9
Number of Residues6
Detailsbinding site for residue SO4 B 511
ChainResidue
BTHR378
BLYS379
BHOH601
BHOH638
BHOH666
BHOH853

site_idAF1
Number of Residues3
Detailsbinding site for residue SO4 B 512
ChainResidue
BSER440
BGLU442
BHOH852

site_idAF2
Number of Residues7
Detailsbinding site for residue EDO B 513
ChainResidue
BHIS259
BGLU260
BILE262
BGLY264
BHIS284
BHIS286
BHOH791

site_idAF3
Number of Residues4
Detailsbinding site for residue EDO B 514
ChainResidue
BTYR479
BGLN480
BASN481
BHOH629

site_idAF4
Number of Residues4
Detailsbinding site for residue EDO B 515
ChainResidue
BVAL419
BGLY422
BHOH618
BHOH856

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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