MolNFT v1 · #22177 · protein
Structure of apo transcription regulator B. megaterium
1SXI · Glucose-resistance amylase regulator: “Structure of apo transcription regulator B. megaterium”. X-ray diffraction, 1 ligand (MG), 20 pockets (best druggability 0.81). MolNFT v1 #22177 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1SXI
- Type
- protein
- Length
- 3,276 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucose-resistance amylase regulator
- UniProt
- P46828
- Ligands
- MG
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, B, I, R, T, L, K, W, G, N, M | Glucose-resistance amylase regulator | protein | 273 | 40% helix, 15% strand | P46828 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains D, T
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1087 | 0.81 | 0.82 | 118 | empty |
| 2 | 91 | 0.73 | 0.96 | 25 | empty |
| 3 | 206 | 0.70 | 0.87 | 40 | empty |
| 4 | 300 | 0.68 | 0.83 | 53 | empty |
| 5 | 218 | 0.68 | 0.86 | 47 | empty |
Interfaces
17 interfaces between chains.
- A–D · 1570 Ų buried · 21 hydrogen bonds · protein-protein
- B–I · 1564 Ų buried · 32 hydrogen bonds · protein-protein
- W–G · 1520 Ų buried · 28 hydrogen bonds · protein-protein
- L–K · 1455 Ų buried · 25 hydrogen bonds · protein-protein
- N–M · 1450 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 96 modified (engineered).
Compared structures
- 1SXI · Structure of apo transcription regulator B. megaterium · the same entry in another collection · chain M against M, 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 P46828
- Elsewhere: RCSB PDB 1SXI · PDBe 1SXI · UniProt P46828
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