MolNFT v1 · #97970 · protein
Ubiquitin-like domain of the mycobacterium tuberculosis type VII secretion system protein ECCD1 as maltose-binding protein fusion
4KV3 · Chimera fusion protein of esx-1 secretion system protein…: “Ubiquitin-like domain of the mycobacterium tuberculosis type VII secretion system protein ECCD1 as…”. X-ray diffraction, 1 ligand (GLC), 9 pockets (best druggability 0.79).…
- PDB
- 4KV3
- Type
- protein
- Length
- 912 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chimera fusion protein of esx-1 secretion system protein ECCD1 and maltose-binding…
- UniProt
- P0AEX9, I6X8K0
- Ligands
- GLC
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chimera fusion protein of esx-1 secretion system protein ECCD1 and maltose-binding periplasmic protein | protein | 456 | 41% helix, 22% strand | P0AEX9, I6X8K0 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 140 | 0.79 | 0.96 | 27 | empty |
| 2 | 308 | 0.73 | 0.86 | 28 | GLC |
| 3 | 300 | 0.73 | 0.85 | 33 | GLC |
| 4 | 732 | 0.69 | 0.76 | 85 | empty |
| 5 | 57 | 0.40 | 0.80 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2348 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4KV3 · Ubiquitin-like domain of the Mycobacterium tuberculosis type VII secretion system protein… · the same entry in another collection · chain A against A, 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 P0AEX9
- Every structure of UniProt I6X8K0
- Elsewhere: RCSB PDB 4KV3 · PDBe 4KV3 · UniProt P0AEX9 · UniProt I6X8K0
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