Research workbench
Structure of SIW14 catalytic core
Analyse Structure of SIW14 catalytic core in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6E3B
- Type
- protein
- Length
- 4,055 residues
- Chains
- 24
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase SIW14
- EC
- 3.1.3.48
- UniProt
- P53965
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.90
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, V, W, X, Y | Tyrosine-protein phosphatase SIW14 (EC 3.1.3.48) | protein | 169 | 45% helix, 12% strand | P53965 |
| T | Tyrosine-protein phosphatase SIW14 (EC 3.1.3.48) | protein | 168 | 44% helix, 12% strand | P53965 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 24 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, V, W, X, Y
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1146 | 0.90 | 0.91 | 144 | empty |
| 2 | 1015 | 0.88 | 0.90 | 110 | SO4 |
| 3 | 744 | 0.87 | 0.91 | 111 | SO4 |
| 4 | 416 | 0.83 | 0.91 | 62 | SO4 |
| 5 | 963 | 0.76 | 0.79 | 107 | SO4 |
Interfaces
56 interfaces between chains.
- J–Q · 1431 Ų buried · 10 hydrogen bonds · protein-protein
- B–V · 1409 Ų buried · 14 hydrogen bonds · protein-protein
- E–O · 1408 Ų buried · 19 hydrogen bonds · protein-protein
- L–R · 1388 Ų buried · 14 hydrogen bonds · protein-protein
- F–N · 1384 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6E3B · STRUCTURE OF Siw14 CATALYTIC CORE · the same entry in another collection · chain E against E, 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 P53965
- Elsewhere: RCSB PDB 6E3B · PDBe 6E3B · UniProt P53965
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