MolNFT v1 · #76017 · protein

2.1A resolution structure of the chxr receiver domain containing I3C from chlamydia trachomatis

3Q7S · Transcriptional regulatory protein: “2.1A resolution structure of the chxr receiver domain containing I3C from chlamydia trachomatis”. X-ray diffraction, 1 ligand (I3C), 2 pockets (best druggability 0.56). MolNFT v1 #76017 on…

PDB: 3Q7S
Type: protein
Length: 203 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulatory protein
UniProt: B0BA84
Ligands: I3C
Pockets: 2 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulatory protein	protein	109	31% helix, 27% strand	B0BA84
B	Transcriptional regulatory protein	protein	94	34% helix, 27% strand	B0BA84

Ligands and binding sites

I3C · 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid · ligand · 3 copies · chains A, B

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

Pockets

2 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	216	0.56	0.79	31	empty
2	60	0.52	0.86	15	empty

Interfaces

1 interface between chains.

A–B · 1063 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

3Q7S · 2.1A resolution structure of the ChxR receiver domain containing I3C from Chlamydia… · 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 B0BA84
Elsewhere: RCSB PDB 3Q7S · PDBe 3Q7S · UniProt B0BA84

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.