Research workbench
Mgla bound to gppnhp in complex with mglb
Analyse Mgla bound to gppnhp in complex with mglb in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3T1Q
- Type
- protein
- Length
- 443 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gliding protein mgla; Gliding protein mglb
- EC
- 3.6.5.2
- UniProt
- Q5SJ82, Q5SJ83
- Ligands
- GNP, MG
- Pockets
- 8 · best druggability 0.61
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gliding protein mgla (EC 3.6.5.2) | protein | 178 | 35% helix, 26% strand | Q5SJ82 |
| B | Gliding protein mglb | protein | 132 | 45% helix, 22% strand | Q5SJ83 |
| C | Gliding protein mglb | protein | 133 | 44% helix, 23% strand | Q5SJ83 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.61 | 0.91 | 17 | empty |
| 2 | 193 | 0.61 | 0.82 | 30 | empty |
| 3 | 142 | 0.48 | 0.78 | 21 | empty |
| 4 | 98 | 0.45 | 0.79 | 23 | GNP, MG |
| 5 | 136 | 0.44 | 0.76 | 14 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1213 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 770 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 462 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3T1Q · MglA bound to GppNHp in complex with MglB · 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 Q5SJ82
- Every structure of UniProt Q5SJ83
- Elsewhere: RCSB PDB 3T1Q · PDBe 3T1Q · UniProt Q5SJ82 · UniProt Q5SJ83
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