MolNFT v1 · #100216 · protein

Clc-EC1 Fab complex cysless A399C-A432C mutant

4MQX · H(+)/CL(-) exchange transporter clca: “Clc-EC1 Fab complex cysless A399C-A432C mutant”. X-ray diffraction, 1 ligand (CL), 18 pockets (best druggability 0.75). MolNFT v1 #100216 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4MQX
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; Ecclc; Eric
UniProt: P37019
Ligands: CL
Pockets: 18 · best druggability 0.75

Structure

x-ray diffraction · 4 distinct chains · 52% 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	75% helix, 0% strand	P37019
C, E	Ecclc	protein	221	4% helix, 51% strand	—
D, F	Eric	protein	211	4% helix, 49% strand	—

Ligands and binding sites

CL · Chloride ion · ion · 4 copies · chains A, B

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

Pockets

18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	269	0.75	0.88	34	empty
2	603	0.75	0.81	66	empty
3	653	0.74	0.80	62	empty
4	222	0.73	0.88	28	empty
5	340	0.67	0.81	33	CL

Interfaces

11 interfaces between chains.

A–B · 3651 Å² buried · 42 hydrogen bonds · protein-protein
C–D · 1993 Å² buried · 18 hydrogen bonds · protein-protein
E–F · 1946 Å² buried · 20 hydrogen bonds · protein-protein
A–C · 503 Å² buried · 8 hydrogen bonds · protein-protein
B–E · 497 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

4MQX · CLC-ec1 Fab Complex Cysless A399C-A432C mutant · 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 4MQX · PDBe 4MQX · UniProt P37019

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