MolNFT v1 · #177241 · protein

Crystal structure of juvenile hormone acid methyltransferase jhamt in complex with S-adenosyl homocysteine and methyl farnesoate

7EC0: “Crystal structure of juvenile hormone acid methyltransferase jhamt in complex with S-adenosyl homocysteine…”. X-ray diffraction, 2 ligands (SAH, J10), 18 pockets (best druggability 0.81). MolNFT v1 #177241 on GenesisL1: 3D…

PDB: 7EC0
Type: protein
Length: 1,477 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Juvenile hormone acid methyltransferase
Ligands: SAH, J10
Pockets: 18 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 39% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Juvenile hormone acid methyltransferase	protein	255	41% helix, 24% strand	—
D, G, J, M	Juvenile hormone acid methyltransferase	protein	256	39% helix, 25% strand	—
P	Juvenile hormone acid methyltransferase	protein	198	38% helix, 27% strand	—

Ligands and binding sites

SAH · S-adenosyl-L-homocysteine · ligand · 5 copies · chains A, D, G, J, M
J10 · Methyl farnesoate · ligand · 5 copies · chains A, D, G, J, M

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

Pockets

18 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	770	0.81	0.85	68	empty
2	607	0.80	0.85	59	empty
3	487	0.79	0.87	55	empty
4	511	0.78	0.85	60	SAH, J10
5	420	0.78	0.86	53	SAH, J10

Interfaces

8 interfaces between chains.

A–D · 1358 Å² buried · 25 hydrogen bonds · protein-protein
G–P · 1356 Å² buried · 27 hydrogen bonds · protein-protein
J–M · 1354 Å² buried · 27 hydrogen bonds · protein-protein
D–G · 1020 Å² buried · 3 hydrogen bonds · protein-protein
A–J · 699 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

7EC0 · Crystal structure of juvenile hormone acid methyltransferase JHAMT in complex with… · the same entry in another collection · chain J against J, 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
Elsewhere: RCSB PDB 7EC0 · PDBe 7EC0

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