MolNFT v1 · #18835 · protein
Crystal structure of E. COLI malk in the nucleotide-free form
1Q1B · MALTOSE/MALTODEXTRIN transport ATP-binding protein malk: “Crystal structure of E. COLI malk in the nucleotide-free form”. X-ray diffraction, 17 pockets (best druggability 0.81). MolNFT v1 #18835 on GenesisL1: 3D structure, binding…
- PDB
- 1Q1B
- Type
- protein
- Length
- 1,468 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MALTOSE/MALTODEXTRIN transport ATP-binding protein malk
- UniProt
- P68187
- Pockets
- 17 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | MALTOSE/MALTODEXTRIN transport ATP-binding protein malk | protein | 367 | 24% helix, 33% strand | P68187 |
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 816 | 0.81 | 0.84 | 92 | empty |
| 2 | 1192 | 0.81 | 0.82 | 103 | empty |
| 3 | 332 | 0.77 | 0.87 | 50 | empty |
| 4 | 69 | 0.72 | 0.96 | 23 | empty |
| 5 | 50 | 0.58 | 0.91 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1205 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 1190 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 170 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1Q1B · Crystal structure of E. coli MalK in the nucleotide-free form · the same entry in another collection · chain A against A, TM-score 1.00
- P68187 · 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
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 P68187
- Elsewhere: RCSB PDB 1Q1B · PDBe 1Q1B · UniProt P68187
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