MolNFT v1 · #39932 · protein
Crystal structure of a protein with FMN-binding split barrel fold (NP_828636.1) from streptomyces avermitilis at 2.00 a resolution
2IAB · Hypothetical protein: “Crystal structure of a protein with FMN-binding split barrel fold (NP_828636.1) from streptomyces avermitilis…”. X-ray diffraction, 3 pockets (best druggability 0.60). MolNFT v1 #39932 on GenesisL1: 3D…
- PDB
- 2IAB
- Type
- protein
- Length
- 304 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- UniProt
- Q825J7
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein | protein | 153 | 27% helix, 39% strand | Q825J7 |
| B | Hypothetical protein | protein | 151 | 29% helix, 39% strand | Q825J7 |
Ligands and binding sites
- IPA · Isopropyl alcohol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 284 | 0.60 | 0.78 | 28 | empty |
| 2 | 95 | 0.51 | 0.83 | 25 | empty |
| 3 | 229 | 0.51 | 0.76 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1225 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 2IAB · Crystal structure of a protein with FMN-binding split barrel fold (NP_828636.1) from… · 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 Q825J7
- Elsewhere: RCSB PDB 2IAB · PDBe 2IAB · UniProt Q825J7
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