MolNFT v1 · #39407 · protein
Structure of the escherichia COLI clc chloride channel Y445H mutant and Fab complex
2HT2 · H(+)/CL(-) exchange transporter clca: “Structure of the escherichia COLI clc chloride channel Y445H mutant and Fab complex”. X-ray diffraction, 1 ligand (BR), 16 pockets (best druggability 0.75). MolNFT v1 #39407 on GenesisL1: 3D…
- PDB
- 2HT2
- 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
- 16 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | H(+)/CL(-) exchange transporter clca | protein | 444 | 73% helix, 0% strand | P37019 |
| B | H(+)/CL(-) exchange transporter clca | protein | 441 | 74% helix, 0% strand | P37019 |
| C, E | Fab fragment, heavy chain | protein | 221 | 4% helix, 52% strand | — |
| D, F | Fab fragment, light chain | protein | 211 | 4% helix, 46% 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 | 712 | 0.75 | 0.80 | 67 | empty |
| 2 | 258 | 0.73 | 0.87 | 34 | empty |
| 3 | 685 | 0.73 | 0.79 | 62 | empty |
| 4 | 282 | 0.73 | 0.86 | 32 | empty |
| 5 | 353 | 0.68 | 0.82 | 33 | BR |
Interfaces
11 interfaces between chains.
- A–B · 3558 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 2027 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 1910 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 500 Ų buried · 6 hydrogen bonds · protein-protein
- B–E · 496 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 2HT2 · Structure of the Escherichia coli ClC chloride channel Y445H 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 2HT2 · PDBe 2HT2 · UniProt P37019
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