Research workbench
Crystal structure of monobody HA4/ABL1 SH2 domain complex
Analyse Crystal structure of monobody HA4/ABL1 SH2 domain complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3K2M
- Type
- protein
- Length
- 399 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene tyrosine-protein kinase ABL1; Monobody HA4
- EC
- 2.7.10.2
- UniProt
- P00519
- Ligands
- PO4
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 13% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene tyrosine-protein kinase ABL1 (EC 2.7.10.2) | protein | 100 | 20% helix, 30% strand | P00519 |
| B | Proto-oncogene tyrosine-protein kinase ABL1 (EC 2.7.10.2) | protein | 97 | 20% helix, 31% strand | P00519 |
| C, D | Monobody HA4 | protein | 101 | 0% helix, 57% strand | — |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1185 | 0.76 | 0.78 | 96 | empty |
Interfaces
5 interfaces between chains.
- C–D · 708 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 696 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 646 Ų buried · 16 hydrogen bonds · protein-protein
- B–D · 250 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 216 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
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 P00519
- Elsewhere: RCSB PDB 3K2M · PDBe 3K2M · UniProt P00519
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