MolNFT v1 · #97598 · protein
Structure of the clc-EC1 deltanc construct in the absence of halide
4KJP · H(+)/CL(-) exchange transporter clca: “Structure of the clc-EC1 deltanc construct in the absence of halide”. X-ray diffraction, 17 pockets (best druggability 0.81). MolNFT v1 #97598 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4KJP
- Type
- protein
- Length
- 1,748 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- H(+)/CL(-) exchange transporter clca; Heavy chain of Fab fragment; Light chain of Fab…
- UniProt
- P37019
- Pockets
- 17 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 53% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | H(+)/CL(-) exchange transporter clca | protein | 443 | 77% helix, 0% strand | P37019 |
| B | H(+)/CL(-) exchange transporter clca | protein | 441 | 76% helix, 0% strand | P37019 |
| C, E | Heavy chain of Fab fragment | protein | 221 | 5% helix, 52% strand | — |
| D, F | Light chain of Fab fragment | protein | 211 | 6% helix, 50% strand | — |
Pockets
17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1137 | 0.81 | 0.82 | 118 | empty |
| 2 | 304 | 0.75 | 0.87 | 31 | empty |
| 3 | 279 | 0.74 | 0.87 | 30 | empty |
| 4 | 361 | 0.69 | 0.82 | 33 | empty |
| 5 | 327 | 0.69 | 0.83 | 34 | empty |
Interfaces
11 interfaces between chains.
- A–B · 3565 Ų buried · 39 hydrogen bonds · protein-protein
- C–D · 1935 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 1927 Ų buried · 18 hydrogen bonds · protein-protein
- B–E · 512 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 462 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4KJP · Structure of the CLC-ec1 deltaNC construct in the absence of halide · 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 4KJP · PDBe 4KJP · UniProt P37019
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.