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Crystal structure of the E148D mutant clc-EC1 in 20 mm bromide

Analyse Crystal structure of the E148D mutant clc-EC1 in 20 mm bromide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6AD7
Type: protein
Length: 1,751 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: P37019
Ligands: BR
Pockets: 19 · best druggability 0.83

Structure

x-ray diffraction · 5 distinct chains · 46% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	H(+)/CL(-) exchange transporter clca	protein	444	77% helix, 0% strand	P37019
B	H(+)/CL(-) exchange transporter clca	protein	442	76% helix, 0% strand	P37019
C	Antibody Fab fragment heavy chain	protein	222	4% helix, 51% strand	—
D, F	Antibody Fab fragment light chain	protein	211	5% helix, 50% strand	—
E	Antibody Fab fragment heavy chain	protein	221	4% helix, 53% 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

19 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	628	0.83	0.87	62	empty
2	768	0.74	0.79	76	empty
3	683	0.74	0.80	59	empty
4	311	0.67	0.82	30	BR
5	352	0.67	0.81	32	BR

Interfaces

11 interfaces between chains.

A–B · 3550 Å² buried · 39 hydrogen bonds · protein-protein
C–D · 1901 Å² buried · 17 hydrogen bonds · protein-protein
E–F · 1889 Å² buried · 19 hydrogen bonds · protein-protein
B–E · 501 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 456 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

6AD7 · Crystal structure of the E148D mutant CLC-ec1 in 20 mM bromide · 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 6AD7 · PDBe 6AD7 · UniProt P37019

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