MolNFT v1 · #32728 · protein
Crystal structure of E. COLI GTP cyclohydrolase II in complex with GTP analogue, gmpcpp, and zinc
2BZ0: “Crystal structure of E. COLI GTP cyclohydrolase II in complex with GTP analogue, gmpcpp, and zinc”. X-ray diffraction, 3 ligands (G2P, ZN, MG), 4 pockets (best druggability 0.64). MolNFT v1 #32728 on GenesisL1: 3D structure, binding…
- PDB
- 2BZ0
- Type
- protein
- Length
- 341 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTP cyclohydrolase II
- EC
- 3.5.4.25
- UniProt
- P0A7I7
- Ligands
- G2P, ZN, MG
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GTP cyclohydrolase II (EC 3.5.4.25) | protein | 168 | 29% helix, 30% strand | P0A7I7 |
| B | GTP cyclohydrolase II (EC 3.5.4.25) | protein | 173 | 31% helix, 29% strand | P0A7I7 |
Ligands and binding sites
- G2P · Phosphomethylphosphonic acid guanylate ester · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 349 | 0.64 | 0.80 | 38 | MG, G2P |
| 2 | 284 | 0.61 | 0.79 | 34 | ZN, G2P |
| 3 | 350 | 0.58 | 0.76 | 30 | empty |
| 4 | 167 | 0.54 | 0.79 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1683 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2BZ0 · Crystal Structure of E. coli GTP cyclohydrolase II in complex with GTP analogue, GMPcPP… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A7I7 · AlphaFold monomer V2.0 prediction for GTP cyclohydrolase-2 (P0A7I7) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P0A7I7
- Elsewhere: RCSB PDB 2BZ0 · PDBe 2BZ0 · UniProt P0A7I7
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