MolNFT v1 · #115712 · protein
Crystal structure of the bro domain of hd-ptp in a complex with the core region of STAM2
5CRV · Tyrosine-protein phosphatase non-receptor type 23: “Crystal structure of the bro domain of hd-ptp in a complex with the core region of STAM2”. X-ray diffraction, 6 pockets (best druggability 0.71). MolNFT v1 #115712 on GenesisL1: 3D…
- PDB
- 5CRV
- Type
- protein
- Length
- 753 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 23; Signal transducing adapter molecule 2
- EC
- 3.1.3.48
- UniProt
- Q9H3S7, O75886
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 66% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase non-receptor type 23 (EC 3.1.3.48) | protein | 357 | 65% helix, 3% strand | Q9H3S7 |
| B | Tyrosine-protein phosphatase non-receptor type 23 (EC 3.1.3.48) | protein | 361 | 65% helix, 3% strand | Q9H3S7 |
| C | Signal transducing adapter molecule 2 | protein | 17 | 76% helix, 0% strand | O75886 |
| D | Signal transducing adapter molecule 2 | protein | 18 | 78% helix, 0% strand | O75886 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1090 | 0.71 | 0.75 | 109 | GOL |
| 2 | 146 | 0.49 | 0.78 | 25 | empty |
| 3 | 124 | 0.45 | 0.77 | 21 | empty |
| 4 | 62 | 0.38 | 0.79 | 13 | empty |
| 5 | 96 | 0.37 | 0.75 | 20 | empty |
Interfaces
3 interfaces between chains.
- B–D · 706 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 689 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 526 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5CRV · Crystal structure of the Bro domain of HD-PTP in a complex with the core region of STAM2 · the same entry in another collection · chain D against D, TM-score 1.00
- Q9H3S7 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase non-receptor type 23… · a predicted model of the same protein · chain A against A, TM-score 0.99
- O75886 · AlphaFold monomer V2.0 prediction for signal transducing adapter molecule 2 (O75886) · a predicted model of the same protein · chain C against A, TM-score 0.49
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 Q9H3S7
- Every structure of UniProt O75886
- Elsewhere: RCSB PDB 5CRV · PDBe 5CRV · UniProt Q9H3S7 · UniProt O75886
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