MolNFT v1 · #114213 · protein
1.7 ångströms structure of CHLADUB1 from chlamydia trachomatis
5B5Q · Membrane thiol protease: “1.7 ångströms structure of CHLADUB1 from chlamydia trachomatis”. X-ray diffraction, 1 ligand (CL), 7 pockets (best druggability 0.79). MolNFT v1 #114213 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5B5Q
- Type
- protein
- Length
- 488 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Membrane thiol protease
- EC
- 3.4.22.-
- UniProt
- A0A0E9AT26, K0GC10
- Ligands
- CL
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Membrane thiol protease (EC 3.4.22.-) | protein | 243 | 44% helix, 11% strand | A0A0E9AT26 |
| B | Membrane thiol protease | protein | 245 | 44% helix, 11% strand | K0GC10 |
Ligands and binding sites
- CL · Chloride ion · ion · chains 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 862 | 0.79 | 0.81 | 74 | empty |
| 2 | 87 | 0.55 | 0.85 | 19 | empty |
| 3 | 129 | 0.53 | 0.81 | 23 | empty |
| 4 | 163 | 0.52 | 0.78 | 26 | CL |
| 5 | 120 | 0.51 | 0.81 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 642 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5B5Q · 1.7 Angstroms structure of ChlaDub1 from Chlamydia Trachomatis · 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 A0A0E9AT26
- Every structure of UniProt K0GC10
- Elsewhere: RCSB PDB 5B5Q · PDBe 5B5Q · UniProt A0A0E9AT26 · UniProt K0GC10
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