MolNFT v1 · #44581 · protein
Structural basis of a thiopeptide antibiotic multidrug resistance system from streptomyces LIVIDANS:PROMOTHIOCIN a in complex with tipas
2MBZ · Hth-type transcriptional activator tipa: “Structural basis of a thiopeptide antibiotic multidrug resistance system from streptomyces…”. Solution nmr, 2 ligands (NAK, NH2), 1 pocket (best druggability 0.75). MolNFT v1 #44581 on…
- PDB
- 2MBZ
- Type
- protein
- Length
- 153 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional activator tipa; Promothiocin a
- UniProt
- P0A4T9
- Ligands
- NAK, NH2
- Pockets
- 1 · best druggability 0.75
Structure
solution nmr · 2 distinct chains · 67% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional activator tipa | protein | 143 | 72% helix, 0% strand | P0A4T9 |
| B | Promothiocin a | protein | 10 | 0% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 388 | 0.75 | 0.85 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 696 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified, 3 covalent (nonstandard, covalent ligand).
Compared structures
- 2MBZ · Structural Basis of a Thiopeptide Antibiotic Multidrug Resistance System from… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A4T9 · AlphaFold monomer V2.0 prediction for hth-type transcriptional activator tipa (P0A4T9) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 P0A4T9
- Elsewhere: RCSB PDB 2MBZ · PDBe 2MBZ · UniProt P0A4T9
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