UniProt P00523
Proto-oncogene tyrosine-protein kinase Src (P00523)
Proto-oncogene tyrosine-protein kinase Src (UniProt P00523), EC 2.7.10.2: 236 experimental structures and 1 predicted model on GenesisL1, 28 ligands bound, 55 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P00523
- Protein
- Proto-oncogene tyrosine-protein kinase Src
- EC
- 2.7.10.2
- Experimental structures
- 236
- Predicted models
- 1
- Ligands
- 28
- Pockets
- 55 · 12 records with a druggable one
Structures
237 records of P00523 in the MolNFT archive: 236 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1F1W | Src SH2 THREF1TRP mutant complexed with the phosphopeptide S(PTR)VNVQN | x-ray diffraction | A | — | — |
| 1F1W | Src SH2 THREF1TRP mutant complexed with the phosphopeptide S(PTR)VNVQN | x-ray diffraction | A | — | — |
| 1F2F | Src SH2 THREF1TRP mutant | x-ray diffraction | A | — | — |
| 1F2F | Src SH2 THREF1TRP mutant | x-ray diffraction | A | — | — |
| 1P13 | Crystal Structure of the Src SH2 Domain Complexed with Peptide (SDpYANFK) | x-ray diffraction | A, B | — | — |
| 1P13 | Crystal structure of the src SH2 domain complexed with peptide (sdpyanfk) | x-ray diffraction | A, B | — | — |
| 1PRL | Two binding orientations for peptides to src SH3 domain: development of a general model for… | solution nmr | C | — | — |
| 1PRL | Two binding orientations for peptides to src SH3 domain: development of a general model for… | solution nmr | C | — | — |
| 1PRM | Two binding orientations for peptides to src SH3 domain: development of a general model for… | solution nmr | C | — | — |
| 1PRM | Two binding orientations for peptides to src SH3 domain: development of a general model for… | solution nmr | C | — | — |
| 1RLP | Two binding orientations for peptides to src SH3 domain: development of a general model for… | solution nmr | C | — | — |
| 1RLP | Two binding orientations for peptides to src SH3 domain: development of a general model for… | solution nmr | C | — | — |
| 1RLQ | Two binding orientations for peptides to src SH3 domain: development of a general model for… | solution nmr | C | — | — |
| 1RLQ | Two binding orientations for peptides to src SH3 domain: development of a general model for… | solution nmr | C | — | — |
| 1SRL | 1H and 15N assignments and secondary structure of the src SH3 domain | solution nmr | A | — | — |
| 1SRL | 1H and 15N assignments and secondary structure of the src SH3 domain | solution nmr | A | — | — |
| 1SRM | 1H and 15N assignments and secondary structure of the src SH3 domain | solution nmr | A | — | — |
| 1SRM | 1H and 15N assignments and secondary structure of the src SH3 domain | solution nmr | A | — | — |
| 2HWO | Crystal structure of Src kinase domain in complex with covalent inhibitor | x-ray diffraction | A, B | — | — |
| 2HWO | Crystal structure of src kinase domain in complex with covalent inhibitor | x-ray diffraction | A, B | — | — |
| 2HWP | Crystal structure of Src kinase domain in complex with covalent inhibitor PD168393 | x-ray diffraction | A, B | — | — |
| 2HWP | Crystal structure of src kinase domain in complex with covalent inhibitor PD168393 | x-ray diffraction | A, B | — | — |
| 2OIQ | Crystal Structure of chicken c-Src kinase domain in complex with the cancer drug imatinib. | x-ray diffraction | A, B | — | — |
| 2OIQ | Crystal structure of chicken C-src kinase domain in complex with the cancer drug imatinib. | x-ray diffraction | A, B | — | — |
| 2PTK | Chicken src tyrosine kinase | x-ray diffraction | A | — | — |
| 2PTK | Chicken src tyrosine kinase | x-ray diffraction | A | — | — |
| 2QI8 | Crystal structure of drug resistant SRC kinase domain | x-ray diffraction | A, B | — | — |
| 2QI8 | Crystal structure of drug resistant src kinase domain | x-ray diffraction | A, B | — | — |
| 2QLQ | Crystal structure of SRC kinase domain with covalent inhibitor RL3 | x-ray diffraction | A, B | — | — |
| 2QLQ | Crystal structure of src kinase domain with covalent inhibitor RL3 | x-ray diffraction | A, B | — | — |
| 2QQ7 | Crystal structure of drug resistant SRC kinase domain with irreversible inhibitor | x-ray diffraction | A, B | — | — |
| 2QQ7 | Crystal structure of drug resistant src kinase domain with irreversible inhibitor | x-ray diffraction | A, B | — | — |
| 3D7T | Structural basis for the recognition of c-Src by its inactivator Csk | x-ray diffraction | B | — | — |
| 3D7T | Structural basis for the recognition of C-src by its inactivator csk | x-ray diffraction | B | — | — |
| 3D7U | Structural basis for the recognition of c-Src by its inactivator Csk | x-ray diffraction | B, D | — | — |
| 3D7U | Structural basis for the recognition of C-src by its inactivator csk | x-ray diffraction | B, D | — | — |
| 3DQW | c-Src kinase domain Thr338Ile mutant in complex with ATPgS | x-ray diffraction | A, B, C, D | — | — |
| 3DQW | C-src kinase domain THR338ILE mutant in complex with atpgs | x-ray diffraction | A, B, C, D | — | — |
| 3DQX | chicken c-Src kinase domain in complex with ATPgS | x-ray diffraction | A, B | — | — |
| 3DQX | Chicken C-src kinase domain in complex with atpgs | x-ray diffraction | A, B | — | — |
| 3EL7 | Crystal structure of c-Src in complex with pyrazolopyrimidine 3 | x-ray diffraction | A | — | — |
| 3EL7 | Crystal structure of C-src in complex with pyrazolopyrimidine 3 | x-ray diffraction | A | — | — |
| 3EL8 | Crystal structure of c-Src in complex with pyrazolopyrimidine 5 | x-ray diffraction | A, B | — | — |
| 3EL8 | Crystal structure of C-src in complex with pyrazolopyrimidine 5 | x-ray diffraction | A, B | — | — |
| 3EN4 | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP121, a… | x-ray diffraction | A, B | — | — |
| 3EN4 | Targeted polypharmacology: crystal structure of the C-src kinase domain in complex with PP121, a… | x-ray diffraction | A, B | — | — |
| 3EN5 | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP494, a… | x-ray diffraction | A, B | — | — |
| 3EN5 | Targeted polypharmacology: crystal structure of the C-src kinase domain in complex with PP494, a… | x-ray diffraction | A, B | — | — |
| 3EN6 | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP102, a… | x-ray diffraction | A, B | — | — |
| 3EN6 | Targeted polypharmacology: crystal structure of the C-src kinase domain in complex with PP102, a… | x-ray diffraction | A, B | — | — |
| 3EN7 | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with S1, a… | x-ray diffraction | A, B | — | — |
| 3EN7 | Targeted polypharmacology: crystal structure of the C-src kinase domain in complex with S1, a… | x-ray diffraction | A, B | — | — |
| 3F3T | Kinase domain of cSrc in complex with inhibitor RL38 (Type III) | x-ray diffraction | A, B | — | — |
| 3F3T | Kinase domain of csrc in complex with inhibitor RL38 (type III) | x-ray diffraction | A, B | — | — |
| 3F3U | Kinase domain of cSrc in complex with inhibitor RL37 (Type III) | x-ray diffraction | A, B | — | — |
| 3F3U | Kinase domain of csrc in complex with inhibitor RL37 (type III) | x-ray diffraction | A, B | — | — |
| 3F3V | Kinase domain of cSrc in complex with inhibitor RL45 (Type II) | x-ray diffraction | A, B | — | — |
| 3F3V | Kinase domain of csrc in complex with inhibitor RL45 (type II) | x-ray diffraction | A, B | — | — |
| 3F3W | Drug resistant cSrc kinase domain in complex with inhibitor RL45 (Type II) | x-ray diffraction | A, B | — | — |
| 3F3W | Drug resistant csrc kinase domain in complex with inhibitor RL45 (type II) | x-ray diffraction | A, B | — | — |
177 records more on the page itself.
Ligands
- SO4 · Sulfate ion · in 16 records
- GLC · alpha-D-glucopyranose · in 6 records
- CU · Copper (II) ion · in 4 records
- MG · Magnesium ion · in 4 records
- URE · Urea · in 4 records
- NA · Sodium ion · in 3 records
- 0LI · 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl) phenyl}benzamide · in 2 records
- 1E8 · 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one · in 2 records
- 8BU · [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl) oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid · in 2 records
- 8C6 · [(R)-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-chloranyl-methyl]phosphonic acid · in 2 records
- I14 · N-(3-{[4-amino-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide · in 2 records
- NI · Nickel (II) ion · in 2 records
- O44 · 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride · in 2 records
- 37O · N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide · in 1 record
- 563 · N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide · in 1 record
- 56G · N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide · in 1 record
- 6G3 · N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea · in 1 record
- 71D · (2R)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide · in 1 record
- 72F · N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl) benzamide · in 1 record
- 73A · (2E)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)prop-2-enamide · in 1 record
- ACE · Acetyl group · in 1 record
- G97 · N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide · in 1 record
- GUT · ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide · in 1 record
- GUW · ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl) phenyl]prop-2-enamide · in 1 record
- IYC · Elzovantinib · in 1 record
- RCK · ~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine · in 1 record
- S56 · (2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide · in 1 record
- TZ0 · 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one · in 1 record
Experiment against prediction
- 1F2F chain A against the predicted model P00523: TM-score 0.98, RMSD 0.53 Å
- 2PTK chain A against the predicted model P00523: TM-score 0.97, RMSD 1.26 Å
- 5OB2 chain C against the predicted model P00523: TM-score 0.97, RMSD 0.44 Å
- 5OB2 chain A against the predicted model P00523: TM-score 0.97, RMSD 0.54 Å
- 1F1W chain A against the predicted model P00523: TM-score 0.96, RMSD 0.87 Å
- 5OB1 chain A against the predicted model P00523: TM-score 0.95, RMSD 0.72 Å
- 4HVV chain A against the predicted model P00523: TM-score 0.95, RMSD 0.66 Å
- 3U51 chain A against the predicted model P00523: TM-score 0.93, RMSD 1.16 Å
- 3U51 chain B against the predicted model P00523: TM-score 0.93, RMSD 1.16 Å
- 3U4W chain A against the predicted model P00523: TM-score 0.93, RMSD 1.34 Å
Elsewhere
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