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Crystal structure of the E148N mutant clc-EC1 in presence of 200 mm nabr

Analyse Crystal structure of the E148N mutant clc-EC1 in presence of 200 mm nabr in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6K5D
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; Fab fragment, heavy chain; Fab fragment, light chain
UniProt: J7Q633
Ligands: BR
Pockets: 20 · best druggability 0.76

Structure

x-ray diffraction · 5 distinct chains · 45% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	H(+)/CL(-) exchange transporter clca	protein	444	75% helix, 0% strand	J7Q633
B	H(+)/CL(-) exchange transporter clca	protein	442	76% helix, 0% strand	J7Q633
C	Fab fragment, heavy chain	protein	222	4% helix, 50% strand	—
D, F	Fab fragment, light chain	protein	211	4% helix, 48% strand	—
E	Fab fragment, heavy chain	protein	221	5% helix, 50% strand	—

Ligands and binding sites

BR · Bromide ion · ion · 8 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	283	0.76	0.88	32	empty
2	266	0.75	0.88	30	empty
3	663	0.74	0.80	63	empty
4	622	0.73	0.80	62	empty
5	387	0.69	0.81	35	BR

Interfaces

11 interfaces between chains.

A–B · 3583 Å² buried · 33 hydrogen bonds · protein-protein
C–D · 1901 Å² buried · 21 hydrogen bonds · protein-protein
E–F · 1890 Å² buried · 20 hydrogen bonds · protein-protein
B–E · 502 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 456 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

6K5D · Crystal structure of the E148N mutant CLC-ec1 in presence of 200 mM NaBr · 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 J7Q633
Elsewhere: RCSB PDB 6K5D · PDBe 6K5D · UniProt J7Q633

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