MolNFT v1 · #112958 · protein

The crystal structure of ta-tfp, a thiocyanate-forming protein involved in glucosinolate breakdown (space group P21)

5A11 · Thiocyanate forming protein: “The crystal structure of ta-tfp, a thiocyanate-forming protein involved in glucosinolate breakdown (space…”. X-ray diffraction, 1 ligand (IOD), 6 pockets (best druggability 0.70). MolNFT v1 #112958 on…

PDB: 5A11
Type: protein
Length: 690 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thiocyanate forming protein
UniProt: G1FNI6
Ligands: IOD
Pockets: 6 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Thiocyanate forming protein	protein	345	0% helix, 46% strand	G1FNI6

Ligands and binding sites

IOD · Iodide ion · ion · 7 copies · chains A, B

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

Pockets

6 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	276	0.70	0.84	40	empty
2	271	0.65	0.82	42	IOD
3	243	0.65	0.83	42	IOD
4	235	0.61	0.80	31	IOD
5	228	0.56	0.79	32	IOD

Interfaces

1 interface between chains.

A–B · 1184 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

5A11 · The crystal structure of Ta-TFP, a thiocyanate-forming protein involved in glucosinolate… · 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 G1FNI6
Elsewhere: RCSB PDB 5A11 · PDBe 5A11 · UniProt G1FNI6

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