MolNFT v1 · #175598 · protein
Crystal structure of the C85A/L194A/H234C mutant clc-EC1 with Fab fragment
7CVT · H(+)/CL(-) exchange transporter clca: “Crystal structure of the C85A/L194A/H234C mutant clc-EC1 with Fab fragment”. X-ray diffraction, 1 ligand (CL), 18 pockets (best druggability 0.82). MolNFT v1 #175598 on GenesisL1: 3D structure…
- PDB
- 7CVT
- Type
- protein
- Length
- 1,753 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- H(+)/CL(-) exchange transporter clca; Antibody Fab fragment heavy chain; Antibody Fab…
- UniProt
- D7XDR7
- Ligands
- CL
- Pockets
- 18 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | H(+)/CL(-) exchange transporter clca | protein | 444 | 76% helix, 0% strand | D7XDR7 |
| C | Antibody Fab fragment heavy chain | protein | 222 | 4% helix, 52% strand | — |
| D, F | Antibody Fab fragment light chain | protein | 211 | 7% helix, 50% strand | — |
| E | Antibody Fab fragment heavy chain | protein | 221 | 5% helix, 53% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 520 | 0.82 | 0.88 | 58 | empty |
| 2 | 845 | 0.75 | 0.79 | 88 | empty |
| 3 | 438 | 0.71 | 0.82 | 36 | empty |
| 4 | 358 | 0.69 | 0.82 | 32 | empty |
| 5 | 354 | 0.69 | 0.82 | 32 | CL |
Interfaces
12 interfaces between chains.
- A–B · 3453 Ų buried · 32 hydrogen bonds · protein-protein
- C–D · 1944 Ų buried · 17 hydrogen bonds · protein-protein
- E–F · 1877 Ų buried · 20 hydrogen bonds · protein-protein
- B–E · 477 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 451 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 7CVT · Crystal structure of the C85A/L194A/H234C mutant CLC-ec1 with Fab fragment · the same entry in another collection · 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 D7XDR7
- Elsewhere: RCSB PDB 7CVT · PDBe 7CVT · UniProt D7XDR7
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