Research workbench
Crystal structure of the S107A/E148Q/Y445A mutant of ecclc, in complex with a Fab fragment
Analyse Crystal structure of the S107A/E148Q/Y445A mutant of ecclc, in complex with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2EZ0
- 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
- Ligands
- BR
- Pockets
- 16 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | H(+)/CL(-) exchange transporter clca | protein | 444 | 69% helix, 1% strand | P37019 |
| B | H(+)/CL(-) exchange transporter clca | protein | 441 | 68% helix, 1% strand | P37019 |
| C, E | Fab fragment (heavy chain) | protein | 221 | 4% helix, 51% strand | — |
| D, F | Fab fragment (light chain) | protein | 211 | 6% helix, 48% strand | — |
Ligands and binding sites
- BR · Bromide ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 644 | 0.83 | 0.88 | 57 | empty |
| 2 | 598 | 0.73 | 0.80 | 59 | empty |
| 3 | 592 | 0.73 | 0.81 | 56 | empty |
| 4 | 324 | 0.70 | 0.83 | 39 | empty |
| 5 | 317 | 0.68 | 0.82 | 45 | empty |
Interfaces
11 interfaces between chains.
- A–B · 3550 Ų buried · 33 hydrogen bonds · protein-protein
- E–F · 1907 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 1875 Ų buried · 15 hydrogen bonds · protein-protein
- B–E · 476 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 472 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 2EZ0 · Crystal structure of the S107A/E148Q/Y445A mutant of EcClC, in complex with a FaB fragment · 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 2EZ0 · PDBe 2EZ0 · UniProt P37019
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