MolNFT v1 · #158048 · protein

Crystal structure of human TLR1

6NIH · Toll-like receptor 1,VARIABLE lymphocyte receptor B: “Crystal structure of human TLR1”. X-ray diffraction, 1 ligand (NAG), 7 pockets (best druggability 0.56). MolNFT v1 #158048 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6NIH
Type: protein
Length: 1,039 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Toll-like receptor 1,VARIABLE lymphocyte receptor B
UniProt: Q15399, Q2YDZ3
Ligands: NAG
Pockets: 7 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 15% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Toll-like receptor 1,VARIABLE lymphocyte receptor B	protein	519	15% helix, 22% strand	Q15399, Q2YDZ3
B	Toll-like receptor 1,VARIABLE lymphocyte receptor B	protein	520	15% helix, 23% strand	Q15399, Q2YDZ3

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	385	0.56	0.74	35	empty
2	384	0.56	0.75	48	NAG
3	78	0.42	0.80	17	empty
4	151	0.42	0.74	26	empty
5	97	0.38	0.76	13	empty

Interfaces

1 interface between chains.

A–B · 916 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide, 7 glycan (disulfide, N-glycosylation).

Compared structures

6NIH · Crystal structure of human TLR1 · the same entry in another collection · chain A against A, TM-score 1.00
Q15399 · AlphaFold monomer V2.0 prediction for toll-like receptor 1 (Q15399) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 Q15399
Every structure of UniProt Q2YDZ3
Elsewhere: RCSB PDB 6NIH · PDBe 6NIH · UniProt Q15399 · UniProt Q2YDZ3

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