Research workbench
Crystal structure of estfa (fe-lacking apo form)
Analyse Crystal structure of estfa (fe-lacking apo form) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WJ2
- Type
- protein
- Length
- 1,199 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxylesterase
- EC
- 3.1.1.1
- UniProt
- Q2PCE5
- Pockets
- 7 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxylesterase (EC 3.1.1.1) | protein | 299 | 43% helix, 19% strand | Q2PCE5 |
| B, C, D | Carboxylesterase (EC 3.1.1.1) | protein | 300 | 42% helix, 19% strand | Q2PCE5 |
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 753 | 0.84 | 0.87 | 83 | empty |
| 2 | 889 | 0.84 | 0.85 | 88 | empty |
| 3 | 689 | 0.83 | 0.87 | 67 | empty |
| 4 | 1093 | 0.82 | 0.83 | 94 | empty |
| 5 | 444 | 0.80 | 0.88 | 56 | empty |
Interfaces
6 interfaces between chains.
- B–C · 1506 Ų buried · 40 hydrogen bonds · protein-protein
- A–D · 1485 Ų buried · 34 hydrogen bonds · protein-protein
- C–D · 790 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 784 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 426 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3WJ2 · Crystal structure of ESTFA (FE-lacking apo form) · 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 Q2PCE5
- Elsewhere: RCSB PDB 3WJ2 · PDBe 3WJ2 · UniProt Q2PCE5
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