Research workbench
Crystal structure of SLGN1DELTAASUB
Analyse Crystal structure of SLGN1DELTAASUB in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GR4
- Type
- protein
- Length
- 1,807 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-ribosomal peptide synthetase
- UniProt
- D1GLU5
- Ligands
- CL
- Pockets
- 9 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 29% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-ribosomal peptide synthetase | protein | 454 | 29% helix, 27% strand | D1GLU5 |
| B | Non-ribosomal peptide synthetase | protein | 451 | 29% helix, 26% strand | D1GLU5 |
| C | Non-ribosomal peptide synthetase | protein | 458 | 29% helix, 26% strand | D1GLU5 |
| D | Non-ribosomal peptide synthetase | protein | 444 | 29% helix, 27% strand | D1GLU5 |
Ligands and binding sites
- CL · Chloride ion · ion · chains 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 697 | 0.69 | 0.77 | 80 | empty |
| 2 | 638 | 0.67 | 0.76 | 79 | empty |
| 3 | 485 | 0.66 | 0.78 | 62 | empty |
| 4 | 453 | 0.63 | 0.77 | 58 | empty |
| 5 | 227 | 0.51 | 0.76 | 31 | empty |
Interfaces
3 interfaces between chains.
- A–C · 601 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 434 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 427 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4GR4 · Crystal structure of SlgN1deltaAsub · 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 D1GLU5
- Elsewhere: RCSB PDB 4GR4 · PDBe 4GR4 · UniProt D1GLU5
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