MolNFT v1 · #49947 · protein
Crystal structure of a putative O-methyltransferase (NPUN_R0239) from nostoc punctiforme pcc 73102 at 2.15 a resolution
2R3S · Uncharacterized protein: “Crystal structure of a putative O-methyltransferase (NPUN_R0239) from nostoc punctiforme pcc 73102 at 2.15 a…”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.81). MolNFT v1 #49947 on…
- PDB
- 2R3S
- Type
- protein
- Length
- 655 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- Ligands
- CL
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 330 | 50% helix, 17% strand | — |
| B | Uncharacterized protein | protein | 325 | 50% helix, 17% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 593 | 0.81 | 0.86 | 67 | CL, EDO |
| 2 | 620 | 0.79 | 0.84 | 71 | CL, EDO |
| 3 | 250 | 0.63 | 0.81 | 25 | empty |
| 4 | 61 | 0.43 | 0.82 | 15 | empty |
| 5 | 52 | 0.31 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 3159 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 2R3S · Crystal structure of a putative O-methyltransferase (NPUN_R0239) from nostoc punctiforme… · 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
- Elsewhere: RCSB PDB 2R3S · PDBe 2R3S
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