MolNFT v1 · #26454 · protein
Crystal structure of the inhibitory form of rat GTP cyclohydrolase I/GFRP complex
1WPL: “Crystal structure of the inhibitory form of rat GTP cyclohydrolase I/GFRP complex”. X-ray diffraction, 4 ligands (HBI, 3PO, ZN), 20 pockets (best druggability 0.85). MolNFT v1 #26454 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1WPL
- Type
- protein
- Length
- 2,780 residues
- Chains
- 20
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTP cyclohydrolase I; GTP cyclohydrolase I feedback regulatory protein
- EC
- 3.5.4.16
- UniProt
- P22288, P70552
- Ligands
- HBI, 3PO, ZN, NA
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J | GTP cyclohydrolase I (EC 3.5.4.16) | protein | 194 | 47% helix, 25% strand | P22288 |
| K, L, M, N, O, P, Q, R, S, T | GTP cyclohydrolase I feedback regulatory protein | protein | 84 | 20% helix, 42% strand | P70552 |
Ligands and binding sites
- HBI · 7,8-dihydrobiopterin · ligand · 10 copies · chains A, E, K, B, L, C, M, D, N, O, F, J, P, G, Q, H, R, I, S, T
- 3PO · Triphosphate · ligand · 10 copies · chains A, E, F, B, J, C, I, D, H, G
- ZN · Zinc ion · metal · 10 copies · chains A, B, C, D, E, F, G, H, I, J
- NA · Sodium ion · metal · 10 copies · chains K, L, M, N, O, P, Q, R, S, T
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 536 | 0.85 | 0.91 | 56 | empty |
| 2 | 548 | 0.84 | 0.90 | 61 | empty |
| 3 | 196 | 0.80 | 0.95 | 20 | empty |
| 4 | 192 | 0.79 | 0.95 | 20 | empty |
| 5 | 83 | 0.79 | 0.99 | 21 | empty |
Interfaces
68 interfaces between chains.
- B–I · 2066 Ų buried · 16 hydrogen bonds · protein-protein
- E–F · 2063 Ų buried · 15 hydrogen bonds · protein-protein
- C–H · 2059 Ų buried · 17 hydrogen bonds · protein-protein
- A–J · 2053 Ų buried · 17 hydrogen bonds · protein-protein
- D–G · 2051 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1WPL · Crystal structure of the inhibitory form of rat GTP cyclohydrolase I/GFRP complex · the same entry in another collection · chain I against I, 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 P22288
- Every structure of UniProt P70552
- Elsewhere: RCSB PDB 1WPL · PDBe 1WPL · UniProt P22288 · UniProt P70552
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