MolNFT v1 · #124234 · protein
Deletion-insertion chimera of mbp with the preprotein cross-linking domain of the seca ATPase
5K94 · Maltose-binding periplasmic PROTEIN,PROTEIN translocase…: “Deletion-insertion chimera of mbp with the preprotein cross-linking domain of the seca ATPase”. X-ray diffraction, 8 pockets (best druggability 0.80). MolNFT v1 #124234 on…
- PDB
- 5K94
- Type
- protein
- Length
- 1,012 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding periplasmic PROTEIN,PROTEIN translocase subunit SECA,MALTOSE-binding…
- UniProt
- P0AEY0, Q8X996
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Maltose-binding periplasmic PROTEIN,PROTEIN translocase subunit SECA,MALTOSE-binding periplasmic protein | protein | 506 | 43% helix, 17% strand | P0AEY0, Q8X996 |
Ligands and binding sites
- B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1163 | 0.80 | 0.81 | 135 | empty |
| 2 | 260 | 0.66 | 0.83 | 40 | empty |
| 3 | 414 | 0.61 | 0.76 | 45 | B3P |
| 4 | 216 | 0.55 | 0.78 | 40 | empty |
| 5 | 282 | 0.55 | 0.76 | 39 | empty |
Interfaces
1 interface between chains.
- A–B · 864 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5K94 · Deletion-Insertion Chimera of MBP with the Preprotein Cross-Linking Domain of the SecA… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8X996 · AlphaFold monomer V2.0 prediction for protein translocase subunit seca (Q8X996) · a predicted model of the same protein · chain A against A, TM-score 0.37
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 P0AEY0
- Every structure of UniProt Q8X996
- Elsewhere: RCSB PDB 5K94 · PDBe 5K94 · UniProt P0AEY0 · UniProt Q8X996
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