Research workbench
Cryo-EM structure of the human MCT1/BASIGIN-2 complex in the presence of anti-cancer drug candidate 7ACC2 in the inward-open conformation
Analyse Cryo-EM structure of the human MCT1/BASIGIN-2 complex in the presence of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7CKO
- Type
- protein
- Length
- 591 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Monocarboxylate transporter 1; Basigin
- UniProt
- P53985, P35613
- Ligands
- G5L
- Pockets
- 5 · best druggability 0.77
Structure
electron microscopy · 2 distinct chains · 57% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Monocarboxylate transporter 1 | protein | 375 | 82% helix, 0% strand | P53985 |
| B | Basigin | protein | 216 | 14% helix, 47% strand | P35613 |
Ligands and binding sites
- G5L · 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 711 | 0.77 | 0.82 | 56 | G5L |
| 2 | 411 | 0.71 | 0.83 | 67 | empty |
| 3 | 304 | 0.60 | 0.79 | 56 | empty |
| 4 | 125 | 0.39 | 0.74 | 26 | empty |
| 5 | 51 | 0.29 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 670 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7CKO · Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug… · the same entry in another collection · chain A against A, TM-score 1.00
- P53985 · AlphaFold monomer V2.0 prediction for monocarboxylate transporter 1 (P53985) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P35613 · AlphaFold monomer V2.0 prediction for basigin (P35613) · a predicted model of the same protein · chain B against A, TM-score 0.72
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 P53985
- Every structure of UniProt P35613
- Elsewhere: RCSB PDB 7CKO · PDBe 7CKO · UniProt P53985 · UniProt P35613
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