MolNFT v1 · #188156 · protein + DNA
Crystal structure of S. aureus glnr-DNA complex
7TEA · Glutamine synthetase repressor: “Crystal structure of S. aureus glnr-DNA complex”. X-ray diffraction, 1 ligand (CA), 7 pockets (best druggability 0.66). MolNFT v1 #188156 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7TEA
- Type
- protein + DNA
- Length
- 392 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamine synthetase repressor; DNA (5'- D(*CP*GP*TP*GP*TP*CP*AP*GP*AP*TP*AP*AP*TP*CP*TP*G…
- UniProt
- Q53687
- Ligands
- CA
- Pockets
- 7 · best druggability 0.66
Structure
x-ray diffraction · 5 distinct chains · 51% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, E | Glutamine synthetase repressor | protein | 78 | 51% helix, 8% strand | Q53687 |
| G, D | DNA (5'- D(*CP*GP*TP*GP*TP*CP*AP*GP*AP*TP*AP*AP*TP*CP*TP*GP*AP*CP*AP*CP*G)- 3') | dna | 21 | — | — |
| F, H | DNA (5'- D(*CP*GP*TP*GP*TP*CP*AP*GP*AP*TP*TP*AP*TP*CP*TP*GP*AP*CP*AP*CP*G)- 3') | dna | 21 | — | — |
| A | Glutamine synthetase repressor | protein | 76 | 49% helix, 8% strand | Q53687 |
| C | Glutamine synthetase repressor | protein | 76 | 53% helix, 9% strand | Q53687 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains E, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 158 | 0.66 | 0.87 | 28 | empty |
| 2 | 155 | 0.65 | 0.87 | 29 | empty |
| 3 | 178 | 0.45 | 0.75 | 25 | empty |
| 4 | 173 | 0.45 | 0.75 | 24 | empty |
| 5 | 170 | 0.42 | 0.74 | 26 | empty |
Interfaces
12 interfaces between chains.
- G–F · 962 Ų buried · 83 hydrogen bonds · nucleic-nucleic
- D–H · 951 Ų buried · 81 hydrogen bonds · nucleic-nucleic
- C–H · 473 Ų buried · 13 hydrogen bonds · protein-nucleic
- E–F · 472 Ų buried · 14 hydrogen bonds · protein-nucleic
- B–G · 465 Ų buried · 12 hydrogen bonds · protein-nucleic
Compared structures
- 7TEA · Crystal structure of S. aureus GlnR-DNA complex · the same entry in another collection · chain B against B, 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 Q53687
- Elsewhere: RCSB PDB 7TEA · PDBe 7TEA · UniProt Q53687
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