MolNFT v1 · #175536 · protein
Peptidyl tryptophan dihydroxylase qhpg essential for tryptophylquinone cofactor biogenesis
7CTQ: “Peptidyl tryptophan dihydroxylase qhpg essential for tryptophylquinone cofactor biogenesis”. X-ray diffraction, 2 ligands (FAD, GKC), 11 pockets (best druggability 0.83). MolNFT v1 #175536 on GenesisL1: 3D structure, binding sites…
- PDB
- 7CTQ
- Type
- protein
- Length
- 858 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl tryptophan dihydroxylase
- Ligands
- FAD, GKC
- Pockets
- 11 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Peptidyl tryptophan dihydroxylase | protein | 429 | 36% helix, 30% strand | — |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- GKC · (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R}, 5~{R},6~{R})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol · ligand · chains B
- HEZ · Hexane-1,6-diol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 874 | 0.83 | 0.85 | 84 | FAD, GKC, HEZ |
| 2 | 850 | 0.82 | 0.84 | 73 | FAD, HEZ |
| 3 | 1046 | 0.79 | 0.80 | 97 | empty |
| 4 | 303 | 0.66 | 0.81 | 34 | empty |
| 5 | 90 | 0.46 | 0.81 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 917 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7CTQ · Peptidyl tryptophan dihydroxylase QhpG essential for tryptophylqui cofactor biogenesis · 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
- Elsewhere: RCSB PDB 7CTQ · PDBe 7CTQ
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