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Crystal structure of sea bream transthyretin in complex with perfluorooctanoic acid (pfoa). crystallized in AMSO4

Analyse Crystal structure of sea bream transthyretin in complex with perfluorooctanoic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6GOO
Type: protein
Length: 228 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transthyretin
UniProt: Q9PTT3
Ligands: 8PF
Pockets: 1 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Transthyretin	protein	114	10% helix, 50% strand	Q9PTT3

Ligands and binding sites

8PF · pentadecafluorooctanoic acid · ligand · 2 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	92	0.36	0.75	24	empty

Interfaces

1 interface between chains.

A–B · 956 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

6GOO · Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid… · 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 Q9PTT3
Elsewhere: RCSB PDB 6GOO · PDBe 6GOO · UniProt Q9PTT3

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