MolNFT v1 · #98868 · protein
Crystal structure of putative ketosteroid isomerase from kribbella flavida dsm 17836
4LMI · Uncharacterized protein: “Crystal structure of putative ketosteroid isomerase from kribbella flavida dsm 17836”. X-ray diffraction, 2 pockets (best druggability 0.75). MolNFT v1 #98868 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4LMI
- Type
- protein
- Length
- 271 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- D2Q2I7
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 135 | 26% helix, 41% strand | D2Q2I7 |
| B | Uncharacterized protein | protein | 136 | 26% helix, 41% strand | D2Q2I7 |
Ligands and binding sites
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 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 | 161 | 0.75 | 0.91 | 24 | EPE |
| 2 | 194 | 0.71 | 0.87 | 30 | EPE |
Interfaces
1 interface between chains.
- A–B · 2366 Ų buried · 38 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (engineered).
Compared structures
- 4LMI · Crystal structure of putative ketosteroid isomerase from Kribbella flavida DSM 17836 · 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 D2Q2I7
- Elsewhere: RCSB PDB 4LMI · PDBe 4LMI · UniProt D2Q2I7
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