MolNFT v1 · #91695 · protein

Crystal structure of ALD1 from arabidopsis thaliana

4FL0 · Aminotransferase ALD1: “Crystal structure of ALD1 from arabidopsis thaliana”. X-ray diffraction, 1 ligand (PLP), 8 pockets (best druggability 0.73). MolNFT v1 #91695 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4FL0
Type: protein
Length: 815 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aminotransferase ALD1
EC: 2.6.1.-
UniProt: Q9ZQI7
Ligands: PLP
Pockets: 8 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aminotransferase ALD1 (EC 2.6.1.-)	protein	406	46% helix, 15% strand	Q9ZQI7
B	Aminotransferase ALD1 (EC 2.6.1.-)	protein	409	45% helix, 14% strand	Q9ZQI7

Ligands and binding sites

PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	539	0.73	0.81	44	PLP
2	722	0.73	0.79	65	PLP
3	244	0.63	0.81	24	empty
4	197	0.61	0.82	25	empty
5	132	0.50	0.80	24	empty

Interfaces

1 interface between chains.

A–B · 3496 Å² buried · 61 hydrogen bonds · protein-protein

Compared structures

4FL0 · Crystal structure of ALD1 from Arabidopsis thaliana · the same entry in another collection · chain B against B, TM-score 1.00
Q9ZQI7 · AlphaFold monomer V2.0 prediction for aminotransferase ALD1, chloroplastic (Q9ZQI7) · a predicted model of the same protein · chain B against A, TM-score 0.97

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 Q9ZQI7
Elsewhere: RCSB PDB 4FL0 · PDBe 4FL0 · UniProt Q9ZQI7

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