MolNFT v1 · #37946 · protein
Crystal structure of plasmodium yoelii multidrug resistance protein 2
2GHI · Transport protein: “Crystal structure of plasmodium yoelii multidrug resistance protein 2”. X-ray diffraction, 1 ligand (SO4), 11 pockets (best druggability 0.53). MolNFT v1 #37946 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2GHI
- Type
- protein
- Length
- 975 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transport protein
- UniProt
- Q7RBT4
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.53
Structure
x-ray diffraction · 4 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transport protein | protein | 255 | 37% helix, 24% strand | Q7RBT4 |
| B | Transport protein | protein | 248 | 35% helix, 24% strand | Q7RBT4 |
| C | Transport protein | protein | 248 | 36% helix, 23% strand | Q7RBT4 |
| D | Transport protein | protein | 224 | 38% helix, 25% strand | Q7RBT4 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 11 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 203 | 0.53 | 0.78 | 37 | empty |
| 2 | 94 | 0.52 | 0.84 | 30 | empty |
| 3 | 163 | 0.46 | 0.75 | 24 | empty |
| 4 | 88 | 0.44 | 0.80 | 22 | empty |
| 5 | 52 | 0.43 | 0.84 | 17 | SO4 |
Interfaces
3 interfaces between chains.
- B–C · 674 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 344 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 119 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2GHI · Crystal Structure of Plasmodium yoelii Multidrug Resistance Protein 2 · 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 Q7RBT4
- Elsewhere: RCSB PDB 2GHI · PDBe 2GHI · UniProt Q7RBT4
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