MolNFT v1 · #102996 · protein

Structure of navms mutant in presence of PI1 compound

4P30 · Ion transport protein: “Structure of navms mutant in presence of PI1 compound”. X-ray diffraction, 2 ligands (2CV, NA), 1 pocket (best druggability 0.72). MolNFT v1 #102996 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4P30
Type: protein
Length: 366 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ion transport protein
UniProt: A0L5S6
Ligands: 2CV, NA
Pockets: 1 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Ion transport protein	protein	92	78% helix, 0% strand	A0L5S6
C, D	Ion transport protein	protein	91	79% helix, 0% strand	A0L5S6

Ligands and binding sites

2CV · Hega-10 · ligand · 4 copies · chains A, B, C, D
NA · Sodium ion · metal · 3 copies · chains C
12P · Dodecaethylene glycol · additive · 4 copies · chains A, B, C, D

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	821	0.72	0.77	95	2CV

Interfaces

5 interfaces between chains.

A–B · 660 Å² buried · 8 hydrogen bonds · protein-protein
C–D · 608 Å² buried · 8 hydrogen bonds · protein-protein
A–D · 194 Å² buried · 0 hydrogen bonds · protein-protein
B–C · 143 Å² buried · 0 hydrogen bonds · protein-protein
A–C · 56 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4P30 · Structure of NavMS mutant in presence of PI1 compound · 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 A0L5S6
Elsewhere: RCSB PDB 4P30 · PDBe 4P30 · UniProt A0L5S6

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