MolNFT v1 · #101183 · protein
Crystal structure of quee from burkholderia multivorans in complex with adomet and 6-carboxypterin
4NJG · 7-carboxy-7-deazaguanine synthase: “Crystal structure of quee from burkholderia multivorans in complex with adomet and 6-carboxypterin”. X-ray diffraction, 3 ligands (SF4, SAM, HHS), 4 pockets (best druggability 0.81). MolNFT v1…
- PDB
- 4NJG
- Type
- protein
- Length
- 418 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
- A9AC61
- Ligands
- SF4, SAM, HHS
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 7-carboxy-7-deazaguanine synthase (EC 4.3.99.3) | protein | 209 | 23% helix, 24% strand | A9AC61 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · 2 copies · chains A, B
- SAM · S-adenosylmethionine · ligand · 2 copies · chains A, B
- HHS · 6-carboxypterin · ligand · 2 copies · chains A, 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 363 | 0.81 | 0.90 | 42 | SF4, SAM, HHS |
| 2 | 374 | 0.80 | 0.89 | 40 | SF4, SAM, HHS |
| 3 | 163 | 0.75 | 0.92 | 41 | empty |
| 4 | 51 | 0.28 | 0.75 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 1308 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4NJG · Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet and… · 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 A9AC61
- Elsewhere: RCSB PDB 4NJG · PDBe 4NJG · UniProt A9AC61
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