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Structure of the escherichia COLI clc chloride channel E148A mutant and Fab complex

Analyse Structure of the escherichia COLI clc chloride channel E148A 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
1OTT
Type
protein
Length
1,749 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Voltage-gated clc-type chloride channel eric; Fab fragment (heavy chain); Fab fragment…
UniProt
P37019
Ligands
CL
Pockets
16 · best druggability 0.83

Structure

x-ray diffraction · 4 distinct chains · 49% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVoltage-gated clc-type chloride channel ericprotein44472% helix, 0% strandP37019
BVoltage-gated clc-type chloride channel ericprotein44170% helix, 0% strandP37019
C, EFab fragment (heavy chain)protein2214% helix, 50% strand—
D, FFab fragment (light chain)protein2114% helix, 46% strand—

Ligands and binding sites

  • CL · Chloride ion · ion · 6 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16510.830.8760empty
210790.790.8199empty
32930.660.8233CL
42790.640.8129CL
55240.610.7556empty

Interfaces

11 interfaces between chains.

  • A–B · 3519 Ų buried · 45 hydrogen bonds · protein-protein
  • C–D · 1909 Ų buried · 18 hydrogen bonds · protein-protein
  • E–F · 1897 Ų buried · 19 hydrogen bonds · protein-protein
  • B–E · 488 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 478 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 1OTT · Structure of the Escherichia coli ClC Chloride channel E148A 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 B against A, TM-score 1.00

Analyse

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