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Structure of the escherichia COLI clc chloride channel Y445A mutant and Fab complex
Analyse Structure of the escherichia COLI clc chloride channel Y445A mutant and Fab… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2HTK
- 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
- Ligands
- BR
- Pockets
- 15 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 52% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | H(+)/CL(-) exchange transporter clca | protein | 444 | 75% helix, 0% strand | P37019 |
| B | H(+)/CL(-) exchange transporter clca | protein | 441 | 75% helix, 0% strand | P37019 |
| C, E | Fab fragment, heavy chain | protein | 221 | 4% helix, 52% strand | — |
| D, F | Fab fragment, light chain | protein | 211 | 7% helix, 54% 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
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 522 | 0.81 | 0.87 | 55 | empty |
| 2 | 649 | 0.75 | 0.81 | 66 | empty |
| 3 | 659 | 0.74 | 0.80 | 65 | empty |
| 4 | 305 | 0.68 | 0.83 | 30 | BR |
| 5 | 291 | 0.65 | 0.82 | 33 | BR |
Interfaces
11 interfaces between chains.
- A–B · 3623 Ų buried · 40 hydrogen bonds · protein-protein
- C–D · 1954 Ų buried · 17 hydrogen bonds · protein-protein
- E–F · 1953 Ų buried · 18 hydrogen bonds · protein-protein
- B–E · 503 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 488 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 2HTK · Structure of the Escherichia coli ClC chloride channel Y445A mutant and Fab complex · 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 2HTK · PDBe 2HTK · UniProt P37019
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