MolNFT v1 · #108494 · protein

Crystal structure of the tir domain of the toll-related receptor trr-2 from the lower metazoan hydra magnipapillata (crystal form II)

4W8H · Toll-receptor-related 2: “Crystal structure of the tir domain of the toll-related receptor trr-2 from the lower metazoan hydra…”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.56). MolNFT v1 #108494 on GenesisL1…

PDB: 4W8H
Type: protein
Length: 131 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Toll-receptor-related 2; Hexa-his tag
UniProt: A6M946
Ligands: CL
Pockets: 2 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Toll-receptor-related 2	protein	127	50% helix, 18% strand	A6M946
D	Hexa-his tag	protein	4	0% helix, 0% strand	—

Ligands and binding sites

CL · Chloride ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	107	0.56	0.84	21	empty
2	78	0.34	0.75	17	empty

Interfaces

1 interface between chains.

A–D · 238 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

4W8H · Crystal structure of the TIR domain of the Toll-related Receptor TRR-2 from the lower… · 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 A6M946
Elsewhere: RCSB PDB 4W8H · PDBe 4W8H · UniProt A6M946

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