MolNFT v1 · #129117 · protein
High resolution crystal structure of the C-src-SH3 domain mutant E93V in complex with the high affinity synthetic peptide APP12: monoclinic crystal
5OAV · Proto-oncogene tyrosine-protein kinase src: “High resolution crystal structure of the C-src-SH3 domain mutant E93V in complex with the high affinity…”. X-ray diffraction, 1 ligand (ACE), 1 pocket (best druggability 0.29). MolNFT v1…
- PDB
- 5OAV
- Type
- protein
- Length
- 132 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene tyrosine-protein kinase src; APP12
- EC
- 2.7.10.2
- UniProt
- P00523
- Ligands
- ACE
- Pockets
- 1 · best druggability 0.29
Structure
x-ray diffraction · 3 distinct chains · 4% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2) | protein | 57 | 5% helix, 46% strand | P00523 |
| B | APP12 | protein | 7 | 0% helix, 0% strand | — |
| D | APP12 | protein | 11 | 0% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 2 copies · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.29 | 0.74 | 17 | empty |
Interfaces
3 interfaces between chains.
- C–D · 557 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 432 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 186 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 5OAV · High resolution crystal structure of the c-Src-SH3 domain mutant E93V in complex with the… · 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 5OAV · PDBe 5OAV · UniProt P00523
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