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Crystal structure of sea bream transthyretin in complex with 2-(3- chloro-2-METHYLANILINO)PYRIDINE-3-carboxylic acid (clonixin)

Analyse Crystal structure of sea bream transthyretin in complex with 2-(3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6GNR
Type: protein
Length: 229 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transthyretin
UniProt: Q9PTT3
Ligands: 6J3
Pockets: 1 · best druggability 0.34

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transthyretin	protein	115	10% helix, 50% strand	Q9PTT3
B	Transthyretin	protein	114	10% helix, 50% strand	Q9PTT3

Ligands and binding sites

6J3 · 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic 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	83	0.34	0.74	20	empty

Interfaces

1 interface between chains.

A–B · 929 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

6GNR · Crystal Structure Of Sea Bream Transthyretin in complex with… · 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 6GNR · PDBe 6GNR · UniProt Q9PTT3

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