MolNFT v1 · #50035 · protein
The crystal structure of the E. COLI maltose transporter
2R6G · MALTOSE/MALTODEXTRIN import ATP-binding protein malk: “The crystal structure of the E. COLI maltose transporter”. X-ray diffraction, 2 ligands (ATP, GLC), 20 pockets (best druggability 0.83). MolNFT v1 #50035 on GenesisL1: 3D…
- PDB
- 2R6G
- Type
- protein
- Length
- 1,887 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MALTOSE/MALTODEXTRIN import ATP-binding protein malk; Maltose-binding periplasmic…
- EC
- 3.6.3.19
- UniProt
- Q1R3Q1, P0AEX9, P02916, P68183
- Ligands
- ATP, GLC
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 5 distinct chains · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MALTOSE/MALTODEXTRIN import ATP-binding protein malk (EC 3.6.3.19) | protein | 371 | 25% helix, 32% strand | Q1R3Q1 |
| B | MALTOSE/MALTODEXTRIN import ATP-binding protein malk (EC 3.6.3.19) | protein | 372 | 26% helix, 33% strand | Q1R3Q1 |
| E | Maltose-binding periplasmic protein | protein | 370 | 45% helix, 21% strand | P0AEX9 |
| F | Maltose transport system permease protein malf | protein | 490 | 51% helix, 13% strand | P02916 |
| G | Maltose transport system permease protein malg | protein | 284 | 65% helix, 1% strand | P68183 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1054 | 0.83 | 0.84 | 117 | ATP |
| 2 | 1111 | 0.81 | 0.82 | 119 | empty |
| 3 | 337 | 0.79 | 0.89 | 66 | empty |
| 4 | 247 | 0.78 | 0.91 | 48 | empty |
| 5 | 438 | 0.72 | 0.82 | 40 | empty |
Interfaces
7 interfaces between chains.
- F–G · 4116 Ų buried · 12 hydrogen bonds · protein-protein
- E–F · 2123 Ų buried · 34 hydrogen bonds · protein-protein
- A–B · 1958 Ų buried · 29 hydrogen bonds · protein-protein
- E–G · 1047 Ų buried · 15 hydrogen bonds · protein-protein
- A–G · 1042 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2R6G · The Crystal Structure of the E. coli Maltose Transporter · the same entry in another collection · chain G against G, TM-score 1.00
- Q1R3Q1 · AlphaFold monomer V2.0 prediction for MALTOSE/MALTODEXTRIN import ATP-binding protein… · a predicted model of the same protein · chain A against A, TM-score 0.98
- P68183 · AlphaFold monomer V2.0 prediction for MALTOSE/MALTODEXTRIN transport system permease… · a predicted model of the same protein · chain G against A, TM-score 0.92
- P02916 · AlphaFold monomer V2.0 prediction for MALTOSE/MALTODEXTRIN transport system permease… · a predicted model of the same protein · chain F against A, TM-score 0.79
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 Q1R3Q1
- Every structure of UniProt P0AEX9
- Every structure of UniProt P02916
- Every structure of UniProt P68183
- Elsewhere: RCSB PDB 2R6G · PDBe 2R6G · UniProt Q1R3Q1 · UniProt P0AEX9 · UniProt P02916 · UniProt P68183
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