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2.1A resolution structure of the chxr receiver domain containing I3C from chlamydia trachomatis
Analyse 2.1A resolution structure of the chxr receiver domain containing I3C from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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.
| Volume (ų) | 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 Ų 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
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