MolNFT v1 · #156542 · protein

Crystal structure of arsn, N-acetyltransferase with substrate phosphinothricin from pseudomonas putida KT2440

6M7G · Phosphinothricin N-acetyltransferase: “Crystal structure of arsn, N-acetyltransferase with substrate phosphinothricin from pseudomonas putida KT2440”. X-ray diffraction, 1 ligand (PPQ), 15 pockets (best druggability 0.81). MolNFT v1…

PDB: 6M7G
Type: protein
Length: 2,109 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphinothricin N-acetyltransferase
UniProt: Q88LK7
Ligands: PPQ
Pockets: 15 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 32% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, D, E, F, G, I, J, K, L	Phosphinothricin N-acetyltransferase	protein	176	31% helix, 32% strand	Q88LK7
B	Phosphinothricin N-acetyltransferase	protein	175	32% helix, 34% strand	Q88LK7
H	Phosphinothricin N-acetyltransferase	protein	174	32% helix, 33% strand	Q88LK7

Ligands and binding sites

PPQ · Phosphinothricin · ligand · 8 copies · chains A, B, C, D, E, I, F, J, H, G, L

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

Pockets

15 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1026	0.81	0.82	120	PPQ
2	158	0.80	0.96	33	empty
3	954	0.79	0.81	102	PPQ
4	1130	0.79	0.80	128	PPQ
5	190	0.79	0.93	37	empty

Interfaces

13 interfaces between chains.

B–C · 1632 Å² buried · 25 hydrogen bonds · protein-protein
F–J · 1624 Å² buried · 23 hydrogen bonds · protein-protein
G–L · 1606 Å² buried · 24 hydrogen bonds · protein-protein
E–I · 1565 Å² buried · 19 hydrogen bonds · protein-protein
C–F · 779 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

6M7G · Crystal structure of ArsN, N-acetyltransferase with substrate phosphinothricin from… · 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 Q88LK7
Elsewhere: RCSB PDB 6M7G · PDBe 6M7G · UniProt Q88LK7

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