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Crystal structure of a pre-translocation state mbp-maltose transporter complex without nucleotide
Analyse Crystal structure of a pre-translocation state mbp-maltose transporter complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3PV0
- Type
- protein
- Length
- 1,875 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose transporter subunit; Fused maltose transport subunit, ATP-binding component of…
- UniProt
- B1XC33, B1XC32, B1XC31, B1XC34
- Ligands
- PGV, GLC
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Maltose transporter subunit | protein | 370 | 45% helix, 21% strand | B1XC33 |
| F | Maltose transporter subunit | protein | 483 | 50% helix, 13% strand | B1XC32 |
| G | Maltose transporter subunit | protein | 282 | 66% helix, 4% strand | B1XC31 |
| A, B | Fused maltose transport subunit, ATP-binding component of ABC superfamily | protein | 370 | 24% helix, 33% strand | B1XC34 |
Ligands and binding sites
- PGV · (1R)-2-{[{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy) phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (11E)-octadec-11-enoate · ligand · chains F, G
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains E, G, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1108 | 0.87 | 0.87 | 88 | GLC |
| 2 | 753 | 0.87 | 0.90 | 90 | empty |
| 3 | 958 | 0.81 | 0.83 | 95 | empty |
| 4 | 206 | 0.79 | 0.93 | 25 | GLC |
| 5 | 322 | 0.74 | 0.86 | 43 | empty |
Interfaces
7 interfaces between chains.
- F–G · 3811 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1849 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 1646 Ų buried · 19 hydrogen bonds · protein-protein
- E–G · 1091 Ų buried · 13 hydrogen bonds · protein-protein
- G–A · 772 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3PV0 · Crystal Structure of a pre-translocation state MBP-Maltose transporter complex without… · the same entry in another collection · chain E against E, 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 B1XC33
- Every structure of UniProt B1XC32
- Every structure of UniProt B1XC31
- Every structure of UniProt B1XC34
- Elsewhere: RCSB PDB 3PV0 · PDBe 3PV0 · UniProt B1XC33 · UniProt B1XC32 · UniProt B1XC31 · UniProt B1XC34
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