MolNFT v1 · #187982 · protein

Crystal structure of a delta 6 18:0-acp desaturase from thunbergia laurifolia

7T63: “Crystal structure of a delta 6 18:0-acp desaturase from thunbergia laurifolia”. X-ray diffraction, 1 ligand (FE2), 5 pockets (best druggability 0.78). MolNFT v1 #187982 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7T63
Type: protein
Length: 659 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Desaturase
Ligands: FE2
Pockets: 5 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 69% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Desaturase	protein	325	70% helix, 1% strand	—
B	Desaturase	protein	334	69% helix, 1% strand	—

Ligands and binding sites

FE2 · Fe (II) ion · metal · 4 copies · chains A, B

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

Pockets

5 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	326	0.78	0.89	58	empty
2	354	0.78	0.88	58	FE2
3	75	0.39	0.79	19	empty
4	65	0.32	0.75	13	empty
5	53	0.27	0.74	14	empty

Interfaces

1 interface between chains.

A–B · 2715 Å² buried · 46 hydrogen bonds · protein-protein

Compared structures

7T63 · Crystal structure of a delta 6 18:0-ACP desaturase from Thunbergia laurifolia · 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
Elsewhere: RCSB PDB 7T63 · PDBe 7T63

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