MolNFT v1 · #91534 · protein

Structure of ecclc E148A mutant in glutamate

4FG6 · H(+)/CL(-) exchange transporter clca: “Structure of ecclc E148A mutant in glutamate”. X-ray diffraction, 18 pockets (best druggability 0.77). MolNFT v1 #91534 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4FG6
Type: protein
Length: 1,749 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…
UniProt: P37019
Pockets: 18 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 54% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	H(+)/CL(-) exchange transporter clca	protein	444	76% helix, 0% strand	P37019
B	H(+)/CL(-) exchange transporter clca	protein	441	76% helix, 1% strand	P37019
C, E	Fab fragment (heavy chain)	protein	221	9% helix, 52% strand	—
D, F	Fab fragment (light chain)	protein	211	6% helix, 50% strand	—

Pockets

18 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	274	0.77	0.89	36	empty
2	273	0.74	0.87	29	empty
3	686	0.72	0.79	74	empty
4	483	0.70	0.80	43	empty
5	255	0.65	0.83	29	empty

Interfaces

10 interfaces between chains.

A–B · 3534 Å² buried · 36 hydrogen bonds · protein-protein
C–D · 1984 Å² buried · 17 hydrogen bonds · protein-protein
E–F · 1899 Å² buried · 18 hydrogen bonds · protein-protein
A–C · 483 Å² buried · 5 hydrogen bonds · protein-protein
B–E · 418 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

4FG6 · Structure of EcCLC E148A mutant in Glutamate · 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

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 4FG6 · PDBe 4FG6 · UniProt P37019

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