MolNFT v1 · #86028 · protein

Structure of the nhaa dimer, crystallised at low pH

4AU5 · NA(+)/H(+) antiporter nhaa: “Structure of the nhaa dimer, crystallised at low pH”. X-ray diffraction, 2 ligands (LMU, SO4), 20 pockets (best druggability 0.77). MolNFT v1 #86028 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4AU5
Type: protein
Length: 1,510 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NA(+)/H(+) antiporter nhaa
UniProt: P13738
Ligands: LMU, SO4
Pockets: 20 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 69% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	NA(+)/H(+) antiporter nhaa	protein	381	69% helix, 3% strand	P13738
B, D	NA(+)/H(+) antiporter nhaa	protein	374	70% helix, 3% strand	P13738

Ligands and binding sites

LMU · Dodecyl-alpha-D-maltoside · ligand · chains A, B
SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D

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

Pockets

20 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	1163	0.77	0.79	101	empty
2	703	0.75	0.80	71	empty
3	111	0.74	0.94	25	empty
4	1031	0.71	0.75	63	SO4
5	1124	0.71	0.74	79	LMU, SO4

Interfaces

5 interfaces between chains.

A–B · 721 Å² buried · 14 hydrogen bonds · protein-protein
C–D · 678 Å² buried · 10 hydrogen bonds · protein-protein
A–D · 445 Å² buried · 7 hydrogen bonds · protein-protein
B–C · 443 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 162 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

4AU5 · Structure of the NhaA dimer, crystallised at low pH · the same entry in another collection · chain A against A, TM-score 1.00
P13738 · AlphaFold monomer V2.0 prediction for NA(+)/H(+) antiporter nhaa (P13738) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P13738
Elsewhere: RCSB PDB 4AU5 · PDBe 4AU5 · UniProt P13738

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.