MolNFT v1 · #61214 · protein
Structure of the E148A, Y445A doubly ungated mutant of E.COLI CLC_EC1, cl-/H+ antiporter
3DET · H(+)/CL(-) exchange transporter clca: “Structure of the E148A, Y445A doubly ungated mutant of E.COLI CLC_EC1, cl-/H+ antiporter”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #61214 on GenesisL1: 3D structure…
- PDB
- 3DET
- Type
- protein
- Length
- 1,749 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- H(+)/CL(-) exchange transporter clca; Fab fragment, heavy chain; Fab fragment, light chain
- UniProt
- P37019
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 52% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | H(+)/CL(-) exchange transporter clca | protein | 444 | 77% helix, 1% strand | P37019 |
| B | H(+)/CL(-) exchange transporter clca | protein | 441 | 73% helix, 0% strand | P37019 |
| C, E | Fab fragment, heavy chain | protein | 221 | 3% helix, 52% strand | — |
| D, F | Fab fragment, light chain | protein | 211 | 4% helix, 52% strand | — |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 707 | 0.83 | 0.87 | 59 | empty |
| 2 | 458 | 0.69 | 0.80 | 37 | empty |
| 3 | 380 | 0.68 | 0.81 | 31 | empty |
| 4 | 364 | 0.68 | 0.81 | 36 | empty |
| 5 | 372 | 0.68 | 0.81 | 34 | empty |
Interfaces
11 interfaces between chains.
- A–B · 3558 Ų buried · 38 hydrogen bonds · protein-protein
- C–D · 1924 Ų buried · 14 hydrogen bonds · protein-protein
- E–F · 1905 Ų buried · 20 hydrogen bonds · protein-protein
- B–E · 469 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 451 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3DET · Structure of the E148A, Y445A doubly ungated mutant of E.coli CLC_Ec1, Cl-/H+ antiporter · the same entry in another collection · chain F against F, TM-score 1.00
- P37019 · AlphaFold monomer V2.0 prediction for H(+)/CL(-) exchange transporter clca (P37019) · a predicted model of the same protein · 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 P37019
- Elsewhere: RCSB PDB 3DET · PDBe 3DET · UniProt P37019
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