MolNFT v1 · #144756 · protein
Crystal structure of the deinococcus radiodurans NRAMP/MNTH divalent transition metal transporter G45R mutant in an inward occluded state
6C3I · Divalent metal cation transporter mnth: “Crystal structure of the deinococcus radiodurans NRAMP/MNTH divalent transition metal transporter G45R mutant…”. X-ray diffraction, 7 pockets (best druggability 0.74). MolNFT v1 #144756 on…
- PDB
- 6C3I
- Type
- protein
- Length
- 774 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Divalent metal cation transporter mnth
- UniProt
- Q9RTP8
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Divalent metal cation transporter mnth | protein | 386 | 81% helix, 0% strand | Q9RTP8 |
| B | Divalent metal cation transporter mnth | protein | 388 | 79% helix, 0% strand | Q9RTP8 |
Ligands and binding sites
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1002 | 0.74 | 0.76 | 89 | empty |
| 2 | 105 | 0.55 | 0.84 | 18 | empty |
| 3 | 124 | 0.48 | 0.79 | 17 | empty |
| 4 | 121 | 0.45 | 0.78 | 17 | empty |
| 5 | 126 | 0.39 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 171 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6C3I · Crystal structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9RTP8 · AlphaFold monomer V2.0 prediction for divalent metal cation transporter mnth (Q9RTP8) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 Q9RTP8
- Elsewhere: RCSB PDB 6C3I · PDBe 6C3I · UniProt Q9RTP8
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