MolNFT v1 · #176636 · protein

Crystal structure of human transthyretin in complex with 4-chloro-9- oxo-9H-xanthene-2-carboxylic acid

7DT5: “Crystal structure of human transthyretin in complex with 4-chloro-9- oxo-9H-xanthene-2-carboxylic acid”. X-ray diffraction, 2 ligands (HH9, CA), 1 pocket (best druggability 0.31). MolNFT v1 #176636 on GenesisL1: 3D structure…

PDB: 7DT5
Type: protein
Length: 230 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transthyretin
UniProt: P02766
Ligands: HH9, CA
Pockets: 1 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Transthyretin	protein	115	6% helix, 53% strand	P02766

Ligands and binding sites

HH9 · 4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid · ligand · 2 copies · chains A, B
CA · Calcium ion · metal · 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	68	0.31	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 944 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

7DT5 · Crystal structure of human 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 P02766
Elsewhere: RCSB PDB 7DT5 · PDBe 7DT5 · UniProt P02766

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