MolNFT v1 · #26617 · protein
Structure of GTP cyclohydrolase I complexed with 8-oxo-GTP
1WUQ: “Structure of GTP cyclohydrolase I complexed with 8-oxo-GTP”. X-ray diffraction, 2 ligands (8GT, ZN), 16 pockets (best druggability 0.76). MolNFT v1 #26617 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1WUQ
- Type
- protein
- Length
- 920 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTP cyclohydrolase I
- EC
- 3.5.4.16
- UniProt
- Q5SH52
- Ligands
- 8GT, ZN
- Pockets
- 16 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | GTP cyclohydrolase I (EC 3.5.4.16) | protein | 184 | 46% helix, 27% strand | Q5SH52 |
Ligands and binding sites
- 8GT · 8-oxo-guanosine-5'-triphosphate · ligand · 5 copies · chains A, B, E, C, D
- ZN · Zinc ion · metal · 5 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 409 | 0.76 | 0.86 | 56 | empty |
| 2 | 106 | 0.65 | 0.89 | 27 | ZN, 8GT |
| 3 | 108 | 0.64 | 0.88 | 27 | 8GT, ZN |
| 4 | 98 | 0.63 | 0.89 | 24 | 8GT |
| 5 | 97 | 0.61 | 0.88 | 23 | ZN, 8GT |
Interfaces
5 interfaces between chains.
- A–B · 1303 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 1297 Ų buried · 20 hydrogen bonds · protein-protein
- D–E · 1281 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1280 Ų buried · 18 hydrogen bonds · protein-protein
- A–E · 1273 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 1WUQ · Structure of GTP cyclohydrolase I Complexed with 8-oxo-GTP · 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 Q5SH52
- Elsewhere: RCSB PDB 1WUQ · PDBe 1WUQ · UniProt Q5SH52
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