Research workbench

Npa bound state of ATPIN3

Analyse Npa bound state of ATPIN3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7WKW
Type: protein
Length: 754 residues
Chains: 2
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Auxin efflux carrier component 3
UniProt: Q9S7Z8
Ligands: E7O
Pockets: 9 · best druggability 0.75

Structure

electron microscopy · 1 distinct chain · 72% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, A	Auxin efflux carrier component 3	protein	377	72% helix, 5% strand	Q9S7Z8

Ligands and binding sites

E7O · 2-(naphthalen-1-ylcarbamoyl)benzoic acid · ligand · 2 copies · chains B, A

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

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	498	0.75	0.83	45	E7O
2	460	0.75	0.83	46	E7O
3	59	0.49	0.85	17	empty
4	175	0.46	0.74	19	empty
5	172	0.46	0.75	22	empty

Interfaces

1 interface between chains.

B–A · 1469 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

7WKW · NPA bound state of AtPIN3 · the same entry in another collection · chain B against B, TM-score 1.00
Q9S7Z8 · AlphaFold monomer V2.0 prediction for auxin efflux carrier component 3 (Q9S7Z8) · a predicted model of the same protein · chain B against A, TM-score 0.87

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 Q9S7Z8
Elsewhere: RCSB PDB 7WKW · PDBe 7WKW · UniProt Q9S7Z8

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