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4mxo

human Src kinase bound to kinase inhibitor bosutinib

Method: X-RAY DIFFRACTION Dmax: 92.9 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Proto-oncogene tyrosine-protein kinase Src

Homo sapiens

UniProt P12931

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 254–536 Fragment：Kinase domain, UNP residues 254-536 DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 2.10 Å R-free 0.254
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain B； UniProt 254–536 Fragment：Kinase domain, UNP residues 254-536 DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 2.10 Å R-free 0.254

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 4MXO Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1A07 C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-MALONYL TYR-GLU-(N,N-DIPENTYL AMINE) Deposited 1997-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 143–248（106 aa） Fragment：SH2 DOMAIN
Chain B 143–248（106 aa） Fragment：SH2 DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；277 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M MES, PH 6.5, 0.05 M CSCL, 30% JEFFAMINE M-600 AT 4 DEGREES C., pH 8.0, temperature 277K
Resolution 2.20 Å
1A08 C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE) Deposited 1997-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 143–248（106 aa） Fragment：SH2 DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；277 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M ACETATE, PH 4.6, 2.1 M AMMONIUM SULFATE AT 4 C., temperature 277K
Resolution 2.20 Å
1A08 C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE) Deposited 1997-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 143–248（106 aa） Fragment：SH2 DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；277 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M ACETATE, PH 4.6, 2.1 M AMMONIUM SULFATE AT 4 C., temperature 277K
Resolution 2.20 Å
1A09 C-src (SH2 domain) complexed with ace-formyl phosphotyr-glu-(n,n-dipentyl amine) Deposited 1997-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 143–248（106 aa） Fragment：SH2 DOMAIN
Chain B 143–248（106 aa） Fragment：SH2 DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；277 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M ACETATE, PH 4.6, 2 M NAFORMATE AT 4 C. THE CRYSTAL WAS SOAKED IN 10% PEG400, 10% GLYCEROL PRIOR TO DATA COLLECTION, temperature 277K
Resolution 2.00 Å
1A09 C-src (SH2 domain) complexed with ace-formyl phosphotyr-glu-(n,n-dipentyl amine) Deposited 1997-12-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 143–248（106 aa） Fragment：SH2 DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；277 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M ACETATE, PH 4.6, 2 M NAFORMATE AT 4 C. THE CRYSTAL WAS SOAKED IN 10% PEG400, 10% GLYCEROL PRIOR TO DATA COLLECTION, temperature 277K
Resolution 2.00 Å
1A09 C-src (SH2 domain) complexed with ace-formyl phosphotyr-glu-(n,n-dipentyl amine) Deposited 1997-12-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 143–248（106 aa） Fragment：SH2 DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；277 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M ACETATE, PH 4.6, 2 M NAFORMATE AT 4 C. THE CRYSTAL WAS SOAKED IN 10% PEG400, 10% GLYCEROL PRIOR TO DATA COLLECTION, temperature 277K
Resolution 2.00 Å
1A1A C-SRC (SH2 DOMAIN WITH C188A MUTATION) COMPLEXED WITH ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE) Deposited 1997-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 143–248（106 aa） Fragment：SH2 DOMAIN
Chain B 143–248（106 aa） Fragment：SH2 DOMAIN
Mutation：C188S Mutation：C188S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；277 K；PROTEIN WAS CRYSTALLIZED FROM 1.0 M LI2SO4, 2% PEG8000 AT 4C. THE CRYSTAL WAS SOAKED IN 25% GLYCEROL PRIOR TO DATA COLLECTION., pH 8.0, temperature 277K
Resolution 2.00 Å
1A1B C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE) Deposited 1997-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 143–248（106 aa） Fragment：SH2 DOMAIN
Chain B 143–248（106 aa） Fragment：SH2 DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；277 K；PROTEIN WAS CRYSTALLIZED FROM 2M AMMONIUM SULFATE AT 4 DEGREES C., pH 8.0, temperature 277K
Resolution 2.20 Å
1A1C C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N-ME(-(CH2)3-CYCLOPENTYL)) Deposited 1997-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 143–248（106 aa） Fragment：SH2 DOMAIN
Chain B 143–248（106 aa） Fragment：SH2 DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；295 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M ACETATE, PH 4.6,2M AMMONIUM SULFATE AT 22 C., temperature 295K
Resolution 2.40 Å
1A1E C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(3-BUTYLPIPERIDINE) Deposited 1997-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 143–248（106 aa） Fragment：SH2 DOMAIN
Chain B 143–248（106 aa） Fragment：SH2 DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；295 K；PROTEIN WAS CRYSTALLIZED FROM 2M AMMONIUM SULFATE AT 22 DEGREES C., pH 8.0, temperature 295K
Resolution 2.20 Å
1FMK CRYSTAL STRUCTURE OF HUMAN TYROSINE-PROTEIN KINASE C-SRC Deposited 1997-01-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 85–535（451 aa） Fragment：RESIDUES 86-836, CONTAINING SH2, SH3, KINASE 2 DOMAINS AND C-TERMINAL TAIL
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.50 Å R-free 0.264
1HCS NMR STRUCTURE OF THE HUMAN SRC SH2 DOMAIN COMPLEX Deposited 1994-09-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 143–248（106 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1HCT NMR STRUCTURE OF THE HUMAN SRC SH2 DOMAIN COMPLEX Deposited 1994-09-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 143–248（106 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1KSW Structure of Human c-Src Tyrosine Kinase (Thr338Gly Mutant) in Complex with N6-benzyl ADP Deposited 2002-01-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 85–535（451 aa） Fragment：SH3, SH2 and Kinase domains
Mutation：T338G Non-standard monomer：Yes (specific site not provided by mmCIF) NBS N6-BENZYL ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；12% PEG 4000, 50mM PIPES pH 6.5, 10mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.80 Å R-free 0.294
1O41 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78300. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 300 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.70 Å
1O42 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU81843. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 843 N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.70 Å
1O43 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82129. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 821 [4-((1Z)-2-(ACETYLAMINO)-3-{[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]AMINO}-3-OXOPROP-1-ENYL)-2-FORMYLPHENYL]ACET IC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.50 Å
1O44 Crystal structure of sh2 in complex with ru85052 Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 852 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.70 Å
1O45 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU84687. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 687 N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.80 Å
1O46 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU90395. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 903 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-METHOXYCARBONYL-PHENYL}-2-FLUORO-MALONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 2.00 Å
1O47 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82209. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 822 N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.80 Å
1O48 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85053. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 853 5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.55 Å
1O49 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85493. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 493 {4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.70 Å
1O4A CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82197. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 197 4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-FORMYL-BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.50 Å
1O4B CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU83876. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 876 N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.85 Å
1O4C CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PHOSPHATE. Deposited 2003-06-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.80 Å
1O4D CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78262. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 262 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.85 Å
1O4E CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78299. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 299 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 2.00 Å
1O4F CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79073. Deposited 2003-06-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) 790 1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 2.00 Å
1O4G CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH DPI59. Deposited 2003-06-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) I59 HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.55 Å
1O4H CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79072. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 772 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 2.25 Å
1O4I CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PAS219. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 219 cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.75 Å
1O4J CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH ISO24. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded IS2 [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.70 Å
1O4K CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PASBN. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded PSN BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.57 Å
1O4L CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH FRAGMENT2. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.65 Å
1O4M CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH MALONICACID. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded MLA MALONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.60 Å
1O4N CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH OXALIC ACID. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded OXD OXALIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.60 Å
1O4O CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PHENYLPHOSPHATE. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded HPS PHENYL DIHYDROGEN PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.70 Å
1O4P CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78791. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 791 2-PHENYLMALONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.90 Å
1O4Q CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79256. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 256 PHENYL(SULFO)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.70 Å
1O4R CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78783. Deposited 2003-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–251（108 aa） Fragment：SH2 DOMAIN
Not recorded 787 (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；pH 5.50
Resolution 1.50 Å
1SHD PEPTIDE INHIBITORS OF SRC SH3-SH2-PHOSPHOPROTEIN INTERACTIONS Deposited 1994-11-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 143–248（106 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
1Y57 Structure of unphosphorylated c-Src in complex with an inhibitor Deposited 2004-12-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 86–536（451 aa） Fragment：SH3 SH2 and KINASE domains
Not recorded SO4 SULFATE ION × 5 MPZ 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PHENYL}BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, tris, glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.91 Å R-free 0.213
1YI6 C-term tail segment of human tyrosine kinase (258-533) Deposited 2005-01-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 260–535（276 aa） Fragment：residues 258-533
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG 6000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.252
1YI6 C-term tail segment of human tyrosine kinase (258-533) Deposited 2005-01-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 260–535（276 aa） Fragment：residues 258-533
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG 6000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.252
1YOJ Crystal structure of Src kinase domain Deposited 2005-01-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 253–535（283 aa） Fragment：Src kinase domain
Mutation：S344N, A369S, Y418W No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；20% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 1.95 Å R-free 0.258
1YOJ Crystal structure of Src kinase domain Deposited 2005-01-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 253–535（283 aa） Fragment：Src kinase domain
Mutation：S344N, A369S, Y418W No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；20% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 1.95 Å R-free 0.258
1YOL Crystal structure of Src kinase domain in complex with CGP77675 Deposited 2005-01-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 253–535（283 aa） Fragment：SRC KINASE DOMAIN
Mutation：S344N, A369S S03 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-4-OL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；20% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.30 Å R-free 0.247
1YOL Crystal structure of Src kinase domain in complex with CGP77675 Deposited 2005-01-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 253–535（283 aa） Fragment：SRC KINASE DOMAIN
Mutation：S344N, A369S S03 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-4-OL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；20% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.30 Å R-free 0.247
1YOM Crystal structure of Src kinase domain in complex with Purvalanol A Deposited 2005-01-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 253–535（283 aa） Fragment：Src kinase domain
Mutation：S344N, A369S, Y418W P01 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；20% ethylene glycol , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.313
1YOM Crystal structure of Src kinase domain in complex with Purvalanol A Deposited 2005-01-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 253–535（283 aa） Fragment：Src kinase domain
Mutation：S344N, A369S, Y418W P01 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；20% ethylene glycol , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.313
2BDF Src kinase in complex with inhibitor AP23451 Deposited 2005-10-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 257–535（279 aa） Fragment：kinase domain
Not recorded 24A {[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；15% PEG400, 50mM NaCl, 100mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.10 Å R-free 0.271
2BDF Src kinase in complex with inhibitor AP23451 Deposited 2005-10-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 257–535（279 aa） Fragment：kinase domain
Not recorded 24A {[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；15% PEG400, 50mM NaCl, 100mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.10 Å R-free 0.271
2BDJ Src kinase in complex with inhibitor AP23464 Deposited 2005-10-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 257–535（279 aa） Fragment：kinase domain
Not recorded HET 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；298 K；20% PEG3350, 200mM NH4NO3, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.277
2H8H Src kinase in complex with a quinazoline inhibitor Deposited 2006-06-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–535（535 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) H8H N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；288 K；50 mM PIPES pH 6.5, 10 mM DTT, 100 mM sodium chloride and 4 to 9% PEG4000 (w/v), VAPOR DIFFUSION, SITTING DROP, temperature 288K
Resolution 2.20 Å R-free 0.272
2SRC CRYSTAL STRUCTURE OF HUMAN TYROSINE-PROTEIN KINASE C-SRC, IN COMPLEX WITH AMP-PNP Deposited 1998-12-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 85–535（451 aa） Fragment：RESIDUES 86-836, CONTAINING SH2, SH3, KINASE 2 DOMAINS AND C-TERMINAL TAIL
Non-standard monomer：Yes (specific site not provided by mmCIF) ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.50 Å R-free 0.281
3VRO Crystal structure of the tyrosine kinase binding domain of Cbl-c in complex with phospho-Src peptide Deposited 2012-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 412–424（13 aa） Fragment：phospho-Src peptide, residues 412-424
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；10% PEG3350, 0.1M ammonium formate, 0.1M NDSB-201, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.212
3ZMP Src-derived peptide inhibitor complex of PTP1B Deposited 2013-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 527–536（10 aa） Fragment：RESIDUES 527-536
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 0.2M MGCL2, 27.14W/V% PEG3350, 0.1M HEPES, PH=7.5
Resolution 2.62 Å R-free 0.271
3ZMP Src-derived peptide inhibitor complex of PTP1B Deposited 2013-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 527–536（10 aa） Fragment：RESIDUES 527-536
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 0.2M MGCL2, 27.14W/V% PEG3350, 0.1M HEPES, PH=7.5
Resolution 2.62 Å R-free 0.271
3ZMQ Src-derived mutant peptide inhibitor complex of PTP1B Deposited 2013-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 527–536（10 aa） Fragment：PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC RESIDUES 527-536
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 0.2M MGCL2, 0.1M TRIS-HCL, PH=8.5 30% (W/V)POLYETHYLENE GLYCOL 4000
Resolution 3.30 Å R-free 0.304
4F59 Triple mutant Src SH2 domain Deposited 2012-05-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–252（109 aa） Fragment：SH2 domain
Mutation：T183V/C188A/K206L No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.6；277 K；0.1 M Tris-HCl, 18% PEG6000, 0.2 M lithium chloride, pH 7.6, vapor diffusion, sitting drop, temperature 277K
Resolution 1.71 Å R-free 0.246
4F5A Triple mutant Src SH2 domain bound to phosphate ion Deposited 2012-05-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–252（109 aa） Fragment：SH2 domain
Mutation：T183V/C188A/K206L PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.6；277 K；0.1 M Tris-HCl, 18% PEG6000, 0.2 M lithium chloride, pH 7.6, vapor diffusion, sitting drop, temperature 277K
Resolution 1.80 Å R-free 0.245
4F5B Triple mutant Src SH2 domain bound to phosphotyrosine Deposited 2012-05-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 144–252（109 aa） Fragment：SH2 domain
Mutation：T183V/C188A/K206L PTR O-PHOSPHOTYROSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.6；277 K；0.1 M Tris-HCl, 18% PEG6000, 0.2 M lithium chloride, pH 7.6, vapor diffusion, sitting drop, temperature 277K
Resolution 1.57 Å R-free 0.230
4HXJ Crystal structure of SH3:RGT complex Deposited 2012-11-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 87–144（58 aa） Fragment：human c-Src SH3 domain, UNP residues 87-144
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；100mM Tris, pH 8.0, 1.3M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.193
4HXJ Crystal structure of SH3:RGT complex Deposited 2012-11-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 87–144（58 aa） Fragment：human c-Src SH3 domain, UNP residues 87-144
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；100mM Tris, pH 8.0, 1.3M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.193
4K11 The structure of 1NA in complex with Src T338G Deposited 2013-04-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 87–534（448 aa） Fragment：UNP residues 87-534
Mutation：T338G Non-standard monomer：Yes (specific site not provided by mmCIF) 0J9 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；50 mM PIPES, pH 6.5, 12% PEG4000, 10 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.30 Å R-free 0.246
4MXX Human Src A403T mutant bound to kinase inhibitor bosutinib Deposited 2013-09-26 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536
Mutation：A403T DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M Ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.60 Å R-free 0.276
4MXX Human Src A403T mutant bound to kinase inhibitor bosutinib Deposited 2013-09-26 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536
Mutation：A403T DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M Ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.60 Å R-free 0.276
4MXY Src M314L T338M double mutant bound to kinase inhibitor bosutinib Deposited 2013-09-26 Different mutation/modification Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536
Mutation：M314L T338M DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.58 Å R-free 0.266
4MXY Src M314L T338M double mutant bound to kinase inhibitor bosutinib Deposited 2013-09-26 Different mutation/modification Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536
Mutation：M314L T338M DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.58 Å R-free 0.266
4MXZ Src M314L T338M double mutant bound to kinase inhibitor bosutinib Deposited 2013-09-26 Different mutation/modification Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536
Mutation：M314L, T338M DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.58 Å R-free 0.266
4MXZ Src M314L T338M double mutant bound to kinase inhibitor bosutinib Deposited 2013-09-26 Different mutation/modification Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536
Mutation：M314L, T338M DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.58 Å R-free 0.266
6ATE SRC kinase bound to covalent inhibitor Deposited 2017-08-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 254–536（283 aa）
Not recorded 6H3 N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES, pH 6.5, 16%-20% PEG 3350, 350 mM - 420mM NaOAc
Resolution 2.40 Å R-free 0.228
6C4S Human cSrc SH3 Domain in complex with Choline Kinase fragment 60-69 Deposited 2018-01-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 87–144（58 aa） Fragment：SH3 domain residues 87-144
Chain B 87–144（58 aa） Fragment：SH3 domain residues 87-144
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.2 M Zinc Acetate 0.1 M Sodium Cacodylate pH 6.5 10% v/v Isopropanol
Resolution 1.50 Å R-free 0.226
6E6E DGY-06-116, a novel and selective covalent inhibitor of SRC kinase Deposited 2018-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 261–536（276 aa）
Not recorded HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350
Resolution 2.15 Å R-free 0.285
6E6E DGY-06-116, a novel and selective covalent inhibitor of SRC kinase Deposited 2018-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 261–536（276 aa）
Not recorded HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350
Resolution 2.15 Å R-free 0.285
6E6E DGY-06-116, a novel and selective covalent inhibitor of SRC kinase Deposited 2018-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 261–536（276 aa）
Not recorded HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350
Resolution 2.15 Å R-free 0.285
6E6E DGY-06-116, a novel and selective covalent inhibitor of SRC kinase Deposited 2018-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 261–536（276 aa）
Not recorded HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350
Resolution 2.15 Å R-free 0.285
6E6E DGY-06-116, a novel and selective covalent inhibitor of SRC kinase Deposited 2018-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 261–536（276 aa）
Not recorded HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350
Resolution 2.15 Å R-free 0.285
6E6E DGY-06-116, a novel and selective covalent inhibitor of SRC kinase Deposited 2018-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 261–536（276 aa）
Not recorded HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350
Resolution 2.15 Å R-free 0.285
6E6E DGY-06-116, a novel and selective covalent inhibitor of SRC kinase Deposited 2018-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 261–536（276 aa）
Not recorded HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350
Resolution 2.15 Å R-free 0.285
6E6E DGY-06-116, a novel and selective covalent inhibitor of SRC kinase Deposited 2018-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 261–536（276 aa）
Not recorded HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350
Resolution 2.15 Å R-free 0.285
7NG7 Src kinase bound to eCF506 trapped in inactive conformation Deposited 2021-02-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 254–536（283 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 UCW tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；6% PEG3350, 300mM Ammonium acetate, 0.1M HEPES pH7.5, 10mM TCEP
Resolution 1.50 Å R-free 0.213
7OTE Src Kinase Domain in complex with ponatinib Deposited 2021-06-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 254–536（283 aa）
Not recorded 0LI 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；Tris 20 mM pH 8, 150 mM Sodium chloride, 1 mM DTT, 2-propanol and PEG 4.000
Resolution 2.49 Å R-free 0.252
7OTE Src Kinase Domain in complex with ponatinib Deposited 2021-06-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 254–536（283 aa）
Not recorded 0LI 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide × 1 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；Tris 20 mM pH 8, 150 mM Sodium chloride, 1 mM DTT, 2-propanol and PEG 4.000
Resolution 2.49 Å R-free 0.252
7T1U Crystal structure of a superbinder Src SH2 domain (sSrcF) in complex with a high affinity phosphopeptide Deposited 2021-12-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 147–251（105 aa） Fragment：SH2 domain
Mutation：Residues 180 to 188 mutated from SETTKGAYC to GQSQPDYV and K206I (numbered as residue 205 in these coordinates) ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；80 uM Zinc Acetate, 12% PEG3350, 100 mM Sodium Acetate (pH 4.0), and 2% 1,3-butanediol
Resolution 2.65 Å R-free 0.270
7T1U Crystal structure of a superbinder Src SH2 domain (sSrcF) in complex with a high affinity phosphopeptide Deposited 2021-12-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 147–251（105 aa） Fragment：SH2 domain
Mutation：Residues 180 to 188 mutated from SETTKGAYC to GQSQPDYV and K206I (numbered as residue 205 in these coordinates) ZN ZINC ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；80 uM Zinc Acetate, 12% PEG3350, 100 mM Sodium Acetate (pH 4.0), and 2% 1,3-butanediol
Resolution 2.65 Å R-free 0.270
7YQE Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54. Deposited 2022-08-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 85–247（163 aa）
Mutation：C338S,C340S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1% v/v 1,4 Dioxane, 0.1 M Tris pH 7.5, 12.5% w/v Polyethylene glycol 3,350
Resolution 3.50 Å R-free 0.295
7YQE Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54. Deposited 2022-08-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 85–247（163 aa）
Mutation：C338S,C340S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1% v/v 1,4 Dioxane, 0.1 M Tris pH 7.5, 12.5% w/v Polyethylene glycol 3,350
Resolution 3.50 Å R-free 0.295
8HAQ The complex of Src with GW8510 Deposited 2022-10-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 266–542（277 aa）
Not recorded L1N 4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MOPS pH 7.0, 18% PEG 3350, 5% Glycerol, 5 mM TCEP
Resolution 2.27 Å R-free 0.250
8HAQ The complex of Src with GW8510 Deposited 2022-10-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 266–542（277 aa）
Not recorded L1N 4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MOPS pH 7.0, 18% PEG 3350, 5% Glycerol, 5 mM TCEP
Resolution 2.27 Å R-free 0.250
8JF3 C-Src in complex with compound 9 Deposited 2023-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 254–536（283 aa）
Chain B 254–536（283 aa）
Not recorded C0N 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；300 mM Sodium Acetate, 0.1 M MES pH 7.5, 4% PEG3350
Resolution 2.85 Å R-free 0.317
8JN8 Crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668 Deposited 2023-06-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–536（536 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) JA6 (2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.2M tri-Lithium citrate, 20%(w/v) PEG 3350
Resolution 1.90 Å R-free 0.254
8JN9 Crystal structure of c-Src in complex with covalent inhibitor LW-Srci-8 Deposited 2023-06-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–536（536 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) UJ0 N-[(1R)-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-cyclopropyl-prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.2M tri-Lithium citrate, 20%(w/v) PEG 3350
Resolution 2.72 Å R-free 0.279
8VCF Crystal structure of Superbinder Src SH2 domain with Cysteine to Serine mutations Deposited 2023-12-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 161–268（108 aa） Fragment：SH2 DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；VAPOR DIFFUSION,SITTING DROP, TEMPERATURE 290K 0.2 M Ammonium Fluoride, 20% PEG 3350
Resolution 1.50 Å R-free 0.177
8VCG Mutant Src SH2 domain in complex with phosphotyrosine Deposited 2023-12-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 161–267（107 aa） Fragment：SH2 DOMAIN
Not recorded PTR O-PHOSPHOTYROSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；290 K；VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K 0.2 M Ammonium Fluoride, 20% PEG 3350
Resolution 1.61 Å R-free 0.176
9IRL Crystal structure analysis of LW-Srci-2o in complex with c-Src. Deposited 2024-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 86–536（451 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1L20 (2~{R})-2-[3,5-bis(fluoranyl)phenyl]-2-[2-chloranylethanoyl(cyclopropyl)amino]-~{N}-cyclopentyl-ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；PEG 3350, Hepes 7.4
Resolution 2.03 Å R-free 0.243
9NS0 Ground state of Src kinase domain Deposited 2025-03-14 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 251–536（286 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 500；Pressure 1
NMR sample composition 250 uM [U-15N; U-2H] ILVMAT CH3 FY CEHE Proto-oncogene tyrosine-protein kinase Src, 25 mM potassium chloride, 500 mM sodium chloride, 3 mM BME, 1 mM EDTA, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 250 uM [U-13C; U-15N; U-2H] Proto-oncogene tyrosine-protein kinase Src, 25 mM potassium chloride, 500 mM sodium chloride, 3 mM BME, 1 mM EDTA, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
9NS1 Intermediate state of Src kinase domain Deposited 2025-03-15 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 251–536（286 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；303 K；Ionic strength (raw mmCIF value) 500；Pressure 1
NMR sample composition 250 uM [U-13C; U-15N; U-2H] SrcA311I kinase, 25 mM potassium chloride, 500 mM sodium chloride, 3 mM BME, 1 mM EDTA, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 250 uM [U-15N; U-2H] ILVMAT CH3 FY CEHE SrcA311I kinase, 25 mM potassium chloride, 500 mM sodium chloride, 3 mM BME, 1 mM EDTA, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
9OFX Crystal structure of c-Src SH3 domain in H32 space group mediated by nickel Deposited 2025-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 85–143（59 aa） Fragment：c-Src SH3 domain
Chain B 85–143（59 aa） Fragment：c-Src SH3 domain
Chain C 85–143（59 aa） Fragment：c-Src SH3 domain
Chain D 85–143（59 aa） Fragment：c-Src SH3 domain
Not recorded NI NICKEL (II) ION × 2 GOL GLYCEROL × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.7 M Ammonium Sulfate, 5 mM NiCl2, 10% glycerol, 0.1 M HEPES pH 7.5
Resolution 1.45 Å R-free 0.196

76 other PDB entries and 100 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SRC_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 4–286； UniProt 254–536 Author chain B； PDBConstruct 4–286； UniProt 254–536

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 4mxo

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4mxo
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4mxo
Deposition date deposition_date2013-09-26
Structure title titlehuman Src kinase bound to kinase inhibitor bosutinib
Keywords keywordsKinase, Phosphorylation, TRANSFERASE-TRANSFERASE INHIBITOR complex; TRANSFERASE/TRANSFERASE INHIBITOR
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier28.12 Å
Radius of gyration Rg (electron density) rg_electron27.47 Å
Forward intensity I(0) i059789000.00
Molecular weight molecular_weight61824.0 kDa
Excluded volume excluded_volume77951 ų
Envelope volume envelope_volume95589 ų
Hydration-shell volume shell_volume29782 ų
Envelope diameter envelope_diameter94.1 Å
Shell Rg shell_rg33.78 Å
Envelope Rg envelope_rg27.33 Å
Shape Rg shape_rg27.49 Å
Total Rg total_rg28.10 Å
Total atoms total_atoms4342
Residues n_residues530
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax92.9 Å
Rg (real space) rg_real28.16 Å
Rg uncertainty (real space) rg_real_error0.52 Å
I(0) (real space) i0_real5.9790e+07
I(0) uncertainty (real space) i0_real_error8.6480e+05
Rg (reciprocal space) rg_reciprocal28.15 Å
I(0) (reciprocal space) i0_reciprocal59790000.0000
Solution quality estimate total_estimate0.8891
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary31.5 Å
Skewness Skewness skewness0.368
Kurtosis Kurtosis kurtosis-0.356
Angular range angular_range— – 0.2800 Å−1
Current regularization parameter α current_alpha0.0002
Highest regularization parameter α highest_alpha19090000.0000
Real-space data points n_real_points57
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.892; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.960; Smooth: 0.919
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd4mxoa_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.7 — Protein kinases, catalytic subunit
Domain ID domain_idd4mxob_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.7 — Protein kinases, catalytic subunit

CATH v4.4 (4 domains)

Domain ID domain_id4mxoA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id4mxoA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
Domain ID domain_id4mxoB01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id4mxoB02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
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8. Citations (1)

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9. Files and Curves (10)