Research workbench
Crystal structure of quee from escherichia COLI
Analyse Crystal structure of quee from escherichia COLI in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NHL
- Type
- protein
- Length
- 453 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 7-carboxy-7-deazaguanine synthase
- EC
- 4.3.99.3
- UniProt
- A0A0E1M5B1
- Ligands
- SF4, FE, MG
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 7-carboxy-7-deazaguanine synthase (EC 4.3.99.3) | protein | 225 | 33% helix, 24% strand | A0A0E1M5B1 |
| B | 7-carboxy-7-deazaguanine synthase (EC 4.3.99.3) | protein | 228 | 33% helix, 22% strand | A0A0E1M5B1 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · chains A
- MG · Magnesium ion · metal · chains B
- PEG · Di(hydroxyethyl)ether · additive · chains A
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 763 | 0.74 | 0.79 | 75 | SF4 |
| 2 | 359 | 0.73 | 0.84 | 40 | SF4 |
| 3 | 98 | 0.36 | 0.74 | 16 | empty |
| 4 | 94 | 0.35 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 789 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6NHL · Crystal structure of QueE from Escherichia coli · 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 A0A0E1M5B1
- Elsewhere: RCSB PDB 6NHL · PDBe 6NHL · UniProt A0A0E1M5B1
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