MolNFT v1 · #72487 · protein
Crystal structure of protein of unknown function from mine drainage metagenome leptospirillum rubarum
3NA2 · Uncharacterized protein: “Crystal structure of protein of unknown function from mine drainage metagenome leptospirillum rubarum”. X-ray diffraction, 4 pockets (best druggability 0.77). MolNFT v1 #72487 on GenesisL1: 3D structure…
- PDB
- 3NA2
- Type
- protein
- Length
- 537 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- A3EUC6
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 26% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 138 | 25% helix, 41% strand | A3EUC6 |
| B | Uncharacterized protein | protein | 131 | 27% helix, 40% strand | A3EUC6 |
| C | Uncharacterized protein | protein | 131 | 27% helix, 44% strand | A3EUC6 |
| D | Uncharacterized protein | protein | 137 | 26% helix, 40% strand | A3EUC6 |
Ligands and binding sites
- ACY · Acetic acid · additive · 2 copies · chains A, C, D
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1109 | 0.77 | 0.79 | 112 | empty |
| 2 | 210 | 0.60 | 0.81 | 35 | empty |
| 3 | 183 | 0.54 | 0.79 | 29 | empty |
| 4 | 58 | 0.28 | 0.74 | 16 | empty |
Interfaces
5 interfaces between chains.
- C–D · 541 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 459 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 416 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 347 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 330 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 3NA2 · Crystal Structure of Protein of Unknown Function from Mine Drainage Metagenome… · 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 A3EUC6
- Elsewhere: RCSB PDB 3NA2 · PDBe 3NA2 · UniProt A3EUC6
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