MolNFT v1 · #79388 · protein
Mglb with tetrameric arrangement
3T1R · Gliding protein mglb: “Mglb with tetrameric arrangement”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.70). MolNFT v1 #79388 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3T1R
- Type
- protein
- Length
- 537 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gliding protein mglb
- UniProt
- Q5SJ83
- Ligands
- MG
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 4 distinct chains · 44% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gliding protein mglb | protein | 133 | 45% helix, 23% strand | Q5SJ83 |
| B | Gliding protein mglb | protein | 134 | 43% helix, 24% strand | Q5SJ83 |
| C | Gliding protein mglb | protein | 136 | 44% helix, 24% strand | Q5SJ83 |
| D | Gliding protein mglb | protein | 134 | 44% helix, 23% strand | Q5SJ83 |
Ligands and binding sites
- MG · Magnesium ion · metal · 5 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 485 | 0.70 | 0.80 | 61 | empty |
| 2 | 61 | 0.35 | 0.78 | 14 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1359 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 1302 Ų buried · 21 hydrogen bonds · protein-protein
- B–D · 463 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 304 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 274 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3T1R · MglB with tetrameric arrangement · 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 Q5SJ83
- Elsewhere: RCSB PDB 3T1R · PDBe 3T1R · UniProt Q5SJ83
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