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5HU9

Crystal structure of ABL1 in complex with CHMFL-074

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004713molecular_functionprotein tyrosine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues21
Detailsbinding site for residue 66K A 601
ChainResidue
AVAL270
AGLU316
APHE317
AMET318
AGLY321
AILE360
AHIS361
ALEU370
AVAL379
AALA380
AASP381
ALYS271
APHE382
AHOH868
AGLU286
AMET290
AILE293
ALEU298
AVAL299
AILE313
ATHR315

site_idAC2
Number of Residues13
Detailsbinding site for residue 66K A 602
ChainResidue
AMET226
APRO309
APHE311
AARG386
ALEU387
AMET388
AILE403
AALA412
ATYR449
AGLU453
AHOH758
AHOH760
AHOH776

site_idAC3
Number of Residues5
Detailsbinding site for residue EDO A 603
ChainResidue
ATYR253
AASN322
AARG367
AHIS396
AHOH857

site_idAC4
Number of Residues5
Detailsbinding site for residue EDO A 604
ChainResidue
AGLU238
AARG457
AARG473
ATRP476
AGLN477

site_idAC5
Number of Residues3
Detailsbinding site for residue EDO A 605
ChainResidue
AMET244
ATYR257
ATYR312

site_idAC6
Number of Residues7
Detailsbinding site for residue EDO A 606
ChainResidue
ALYS234
ATRP235
AMET237
ATRP261
ALEU302
AHOH739
AHOH784

site_idAC7
Number of Residues4
Detailsbinding site for residue EDO A 607
ChainResidue
AALA337
ATYR435
AHOH711
AHOH728

site_idAC8
Number of Residues5
Detailsbinding site for residue EDO A 608
ChainResidue
AASN336
AGLU494
AHOH705
AHOH710
AHOH736

site_idAC9
Number of Residues1
Detailsbinding site for residue EDO A 609
ChainResidue
AALA492

site_idAD1
Number of Residues4
Detailsbinding site for residue EDO A 610
ChainResidue
AILE360
APHE416
ASER417
AHOH805

site_idAD2
Number of Residues6
Detailsbinding site for residue EDO A 611
ChainResidue
ATYR326
AGLU329
ACYS330
AEDO612
AHOH791
AHOH895

site_idAD3
Number of Residues6
Detailsbinding site for residue EDO A 612
ChainResidue
ATYR320
ATYR326
AGLU334
AASN374
AEDO611
AHOH815

site_idAD4
Number of Residues3
Detailsbinding site for residue EDO A 613
ChainResidue
AGLN498
AHOH786
AHOH836

site_idAD5
Number of Residues1
Detailsbinding site for residue EDO A 614
ChainResidue
AHOH702

site_idAD6
Number of Residues3
Detailsbinding site for residue CL A 615
ChainResidue
ALYS274
AGLU275
AASP276

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGGGQYGEVYeGvwkkyslt..........VAVK
ChainResidueDetails
ALEU248-LYS271

site_idPS00109
Number of Residues13
DetailsPROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. FIHrDLAARNCLV
ChainResidueDetails
APHE359-VAL371

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028
ChainResidueDetails
AASP363

site_idSWS_FT_FI2
Number of Residues3
DetailsBINDING:
ChainResidueDetails
ALEU248
ALYS271
AGLU316

site_idSWS_FT_FI3
Number of Residues1
DetailsMOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P42684
ChainResidueDetails
ASER229

site_idSWS_FT_FI4
Number of Residues3
DetailsMOD_RES: Phosphotyrosine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ATYR253
ATYR257
ATYR413

site_idSWS_FT_FI5
Number of Residues1
DetailsMOD_RES: Phosphotyrosine; by autocatalysis and SRC-type Tyr-kinases => ECO:0000269|PubMed:16912036
ChainResidueDetails
ATYR393

site_idSWS_FT_FI6
Number of Residues1
DetailsMOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P00520
ChainResidueDetails
ASER446

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PDB entries from 2024-09-11

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