MolNFT v2 · #151181 · protein

Crystal Structure Of Sea Bream Transthyretin in complex with 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (Clonixin)

6GNR: “Crystal Structure Of Sea Bream Transthyretin in complex with…”. X-ray diffraction at 1.4, 1 ligand (6J3), 1 pocket (best druggability 0.34). MolNFT v2 #151181 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6GNR
Type: protein
Length: 229 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.4
Source: Sparus aurata
Molecule: Transthyretin
UniProt: Q9PTT3
Ligands: 6J3
Pockets: 1 · best druggability 0.34

Structure

x-ray diffraction · resolution 1.4 · 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 2-(3… · 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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