MolNFT v1 · #36187 · protein
Crystal structure of the E148Q mutant of ecclc, Fab complexed in absence of bound ions
2EXY · H(+)/CL(-) exchange transporter clca: “Crystal structure of the E148Q mutant of ecclc, Fab complexed in absence of bound ions”. X-ray diffraction, 16 pockets (best druggability 0.84). MolNFT v1 #36187 on GenesisL1: 3D structure…
- PDB
- 2EXY
- 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…
- UniProt
- P37019
- Pockets
- 16 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | H(+)/CL(-) exchange transporter clca | protein | 444 | 68% helix, 0% strand | P37019 |
| B | H(+)/CL(-) exchange transporter clca | protein | 441 | 68% helix, 0% strand | P37019 |
| C, E | Fab fragment (heavy chain) | protein | 221 | 4% helix, 50% strand | — |
| D, F | Fab fragment (light chain) | protein | 211 | 6% helix, 47% strand | — |
Pockets
16 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 630 | 0.84 | 0.88 | 60 | empty |
| 2 | 607 | 0.74 | 0.81 | 62 | empty |
| 3 | 652 | 0.72 | 0.79 | 60 | empty |
| 4 | 299 | 0.64 | 0.81 | 32 | empty |
| 5 | 265 | 0.63 | 0.81 | 33 | empty |
Interfaces
11 interfaces between chains.
- A–B · 3576 Ų buried · 39 hydrogen bonds · protein-protein
- E–F · 1905 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1888 Ų buried · 18 hydrogen bonds · protein-protein
- B–E · 457 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 449 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 2EXY · Crystal structure of the E148Q Mutant of EcClC, Fab complexed in absence of bound ions · 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 B 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 2EXY · PDBe 2EXY · UniProt P37019
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