MolNFT v1 · #150783 · protein

Flavin-dependent tryptophan 6-halogenase thal

6H43: “Flavin-dependent tryptophan 6-halogenase thal”. X-ray diffraction, 2 ligands (K, PO4), 13 pockets (best druggability 0.81). MolNFT v1 #150783 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6H43
Type: protein
Length: 1,049 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tryptophan 6-halogenase thal
UniProt: A1E280
Ligands: K, PO4
Pockets: 13 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tryptophan 6-halogenase thal	protein	528	40% helix, 20% strand	A1E280
B	Tryptophan 6-halogenase thal	protein	521	38% helix, 21% strand	A1E280

Ligands and binding sites

K · Potassium ion · metal · chains A
PO4 · Phosphate ion · ion · 6 copies · chains A, B
GOL · Glycerol · additive · 13 copies · chains A, B

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

Pockets

13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1041	0.81	0.82	103	GOL
2	754	0.76	0.81	70	GOL
3	786	0.76	0.80	68	GOL
4	159	0.64	0.85	36	empty
5	80	0.56	0.87	19	empty

Interfaces

1 interface between chains.

A–B · 2008 Å² buried · 37 hydrogen bonds · protein-protein

Compared structures

6H43 · Flavin-dependent Tryptophan 6-halogenase Thal · 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 A1E280
Elsewhere: RCSB PDB 6H43 · PDBe 6H43 · UniProt A1E280

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