Research workbench
Crystal structure of 3-ketosteroid-9-alpha-hydroxylase (ksha) from M. tuberculosis
Analyse Crystal structure of 3-ketosteroid-9-alpha-hydroxylase (ksha) from M.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ZYL
- Type
- protein
- Length
- 359 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Possible oxidoreductase
- UniProt
- P71875
- Ligands
- FES, FE2, NA
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Possible oxidoreductase | protein | 359 | 24% helix, 37% strand | P71875 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · chains A
- FE2 · Fe (II) ion · metal · chains A
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 517 | 0.76 | 0.84 | 49 | empty |
| 2 | 188 | 0.50 | 0.76 | 26 | empty |
| 3 | 65 | 0.41 | 0.80 | 21 | empty |
| 4 | 79 | 0.40 | 0.78 | 16 | empty |
| 5 | 51 | 0.30 | 0.76 | 12 | empty |
Compared structures
- 2ZYL · Crystal structure of 3-ketosteroid-9-alpha-hydroxylase (KshA) from M. tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
- P71875 · AlphaFold monomer V2.0 prediction for 3-ketosteroid-9-alpha- monooxygenase, oxygenase… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P71875
- Elsewhere: RCSB PDB 2ZYL · PDBe 2ZYL · UniProt P71875
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