MolNFT v1 · #40995 · protein

Cytoplasmic domain of the human chloride transporter clc-5 in complex with ADP

2JA3 · Chloride channel protein 5: “Cytoplasmic domain of the human chloride transporter clc-5 in complex with ADP”. X-ray diffraction, 1 ligand (ADP), 15 pockets (best druggability 0.74). MolNFT v1 #40995 on GenesisL1: 3D structure…

PDB: 2JA3
Type: protein
Length: 1,010 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chloride channel protein 5
UniProt: P51795
Ligands: ADP
Pockets: 15 · best druggability 0.74

Structure

x-ray diffraction · 5 distinct chains · 32% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E	Chloride channel protein 5	protein	167	31% helix, 24% strand	P51795
B	Chloride channel protein 5	protein	171	35% helix, 24% strand	P51795
C	Chloride channel protein 5	protein	172	34% helix, 22% strand	P51795
D	Chloride channel protein 5	protein	171	33% helix, 23% strand	P51795
F	Chloride channel protein 5	protein	162	27% helix, 25% strand	P51795

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · 6 copies · chains A, B, C, D, E, F

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

Pockets

15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	485	0.74	0.83	51	empty
2	318	0.73	0.85	60	empty
3	512	0.72	0.81	98	empty
4	312	0.72	0.85	64	empty
5	467	0.71	0.81	37	empty

Interfaces

10 interfaces between chains.

C–D · 899 Å² buried · 11 hydrogen bonds · protein-protein
E–F · 890 Å² buried · 8 hydrogen bonds · protein-protein
A–B · 874 Å² buried · 12 hydrogen bonds · protein-protein
B–D · 457 Å² buried · 2 hydrogen bonds · protein-protein
A–C · 393 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

2JA3 · Cytoplasmic Domain of the Human Chloride Transporter ClC-5 in complex with ADP · the same entry in another collection · chain F against F, TM-score 1.00
P51795 · AlphaFold monomer V2.0 prediction for H(+)/CL(-) exchange transporter 5 (P51795) · a predicted model of the same protein · chain E against A, TM-score 0.92

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 P51795
Elsewhere: RCSB PDB 2JA3 · PDBe 2JA3 · UniProt P51795

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