MolNFT v1 · #172457 · protein
Crystal structure of the C-src SH3 domain mutant S94A-T98D-V111L- N113S-T114S at pH 7.0
7A32 · Proto-oncogene tyrosine-protein kinase src: “Crystal structure of the C-src SH3 domain mutant S94A-T98D-V111L- N113S-T114S at pH 7.0”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.63). MolNFT v1 #172457 on…
- PDB
- 7A32
- Type
- protein
- Length
- 232 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene tyrosine-protein kinase src
- EC
- 2.7.10.2
- UniProt
- P00523
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 58 | 5% helix, 53% strand | P00523 |
| B | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 59 | 5% helix, 46% strand | P00523 |
| C | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 57 | 5% helix, 44% strand | P00523 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 165 | 0.63 | 0.85 | 24 | SO4 |
| 2 | 90 | 0.46 | 0.80 | 14 | empty |
| 3 | 163 | 0.43 | 0.74 | 19 | empty |
Interfaces
5 interfaces between chains.
- A–C · 407 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 400 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 379 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 235 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 22 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7A32 · Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 7.0 · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P00523
- Elsewhere: RCSB PDB 7A32 · PDBe 7A32 · UniProt P00523
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