MolNFT v1 · #152341 · protein
Crystal structure of mycobacterium tuberculosis HTRA1 (RV1223) in regulated conformation
6IEO · Probable serine protease htra (degp protein): “Crystal structure of mycobacterium tuberculosis HTRA1 (RV1223) in regulated conformation”. X-ray diffraction, 1 ligand (PMS), 2 pockets (best druggability 0.44). MolNFT v1 #152341 on…
- PDB
- 6IEO
- Type
- protein
- Length
- 296 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable serine protease htra (degp protein)
- UniProt
- O06291
- Ligands
- PMS
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable serine protease htra (degp protein) | protein | 296 | 18% helix, 41% strand | O06291 |
Ligands and binding sites
- PMS · phenylmethanesulfonic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 104 | 0.44 | 0.78 | 25 | empty |
| 2 | 116 | 0.41 | 0.76 | 20 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6IEO · Crystal structure of Mycobacterium tuberculosis HtrA1 (Rv1223) in regulated conformation · the same entry in another collection · chain A against A, TM-score 1.00
- O06291 · AlphaFold monomer V2.0 prediction for probable serine protease HTRA1 (O06291) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 O06291
- Elsewhere: RCSB PDB 6IEO · PDBe 6IEO · UniProt O06291
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