MolNFT v1 · #95288 · protein
2.12A resolution structure of CT398 from chlamydia trachomatis
4ILO: “2.12A resolution structure of CT398 from chlamydia trachomatis”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.68). MolNFT v1 #95288 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4ILO
- Type
- protein
- Length
- 472 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CT398
- UniProt
- B0B7W8
- Ligands
- ZN
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 81% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | CT398 | protein | 236 | 81% helix, 6% strand | B0B7W8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.68 | 0.95 | 14 | empty |
| 2 | 178 | 0.56 | 0.80 | 36 | empty |
| 3 | 78 | 0.35 | 0.76 | 18 | empty |
| 4 | 115 | 0.34 | 0.72 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 785 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4ILO · 2.12A resolution structure of CT398 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 B0B7W8
- Elsewhere: RCSB PDB 4ILO · PDBe 4ILO · UniProt B0B7W8
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