MolNFT v1 · #48185 · protein
Crystal structure of putative MG2+ and CO2+ TRANSPORTER(CORC) associated region from neisseria meningitidis MC58
2PLI · Uncharacterized protein: “Crystal structure of putative MG2+ and CO2+ TRANSPORTER(CORC) associated region from neisseria meningitidis…”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.69). MolNFT v1 #48185 on…
- PDB
- 2PLI
- Type
- protein
- Length
- 328 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q9K0P8
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 21% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 84 | 20% helix, 38% strand | Q9K0P8 |
| B | Uncharacterized protein | protein | 82 | 21% helix, 39% strand | Q9K0P8 |
| C, D | Uncharacterized protein | protein | 81 | 21% helix, 40% strand | Q9K0P8 |
Ligands and binding sites
- ZN · Zinc ion · metal · 13 copies · chains A, D, B, C
- ACT · Acetate ion · additive · 6 copies · chains B, C, D
- GOL · Glycerol · additive · 2 copies · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 386 | 0.69 | 0.82 | 27 | empty |
| 2 | 192 | 0.50 | 0.77 | 27 | ZN, ACT |
| 3 | 144 | 0.43 | 0.76 | 29 | empty |
Interfaces
5 interfaces between chains.
- A–C · 433 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 421 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 351 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 338 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 264 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 2PLI · Crystal structure of putative Mg2+ and Co2+ transporter(CorC)associated region 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 Q9K0P8
- Elsewhere: RCSB PDB 2PLI · PDBe 2PLI · UniProt Q9K0P8
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