MolNFT v1 · #66341 · protein
Crystal structure of pqqc active site mutant Y175S,R179S in complex with a reaction intermediate
3HNH · Pyrroloquinoline-quinone synthase: “Crystal structure of pqqc active site mutant Y175S,R179S in complex with a reaction intermediate”. X-ray diffraction, 1 ligand (AHQ), 2 pockets (best druggability 0.69). MolNFT v1 #66341 on…
- PDB
- 3HNH
- Type
- protein
- Length
- 238 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyrroloquinoline-quinone synthase
- EC
- 1.3.3.11
- UniProt
- A6T9H1
- Ligands
- AHQ
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pyrroloquinoline-quinone synthase (EC 1.3.3.11) | protein | 238 | 69% helix, 0% strand | A6T9H1 |
Ligands and binding sites
- AHQ · (2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 428 | 0.69 | 0.80 | 49 | AHQ |
| 2 | 73 | 0.31 | 0.74 | 19 | empty |
Compared structures
- 3HNH · Crystal Structure of PqqC Active Site Mutant Y175S,R179S in complex with a reaction… · the same entry in another collection · chain A against A, TM-score 1.00
- A6T9H1 · AlphaFold monomer V2.0 prediction for pyrroloquinoline-quinone synthase (A6T9H1) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 A6T9H1
- Elsewhere: RCSB PDB 3HNH · PDBe 3HNH · UniProt A6T9H1
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