MolNFT v1 · #154646 · protein
The transmembrane domain of a cyanobacterium bicarbonate transporter bica
6KI1 · Low affinity sulfate transporter: “The transmembrane domain of a cyanobacterium bicarbonate transporter bica”. X-ray diffraction, 2 ligands (BCT, NA), 10 pockets (best druggability 0.70). MolNFT v1 #154646 on GenesisL1: 3D…
- PDB
- 6KI1
- Type
- protein
- Length
- 777 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Low affinity sulfate transporter
- UniProt
- Q55415
- Ligands
- BCT, NA
- Pockets
- 10 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Low affinity sulfate transporter | protein | 385 | 67% helix, 2% strand | Q55415 |
| B | Low affinity sulfate transporter | protein | 392 | 66% helix, 2% strand | Q55415 |
Ligands and binding sites
- BCT · Bicarbonate ion · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 622 | 0.70 | 0.78 | 67 | BCT, OLC |
| 2 | 402 | 0.64 | 0.78 | 46 | BCT, NA, OLC |
| 3 | 572 | 0.62 | 0.73 | 42 | empty |
| 4 | 223 | 0.62 | 0.81 | 40 | empty |
| 5 | 187 | 0.58 | 0.81 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 190 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6KI1 · The transmembrane domain of a cyanobacterium bicarbonate transporter BicA · the same entry in another collection · chain A against A, TM-score 1.00
- Q55415 · AlphaFold monomer V2.0 prediction for bicarbonate transporter bica (Q55415) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q55415
- Elsewhere: RCSB PDB 6KI1 · PDBe 6KI1 · UniProt Q55415
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