MolNFT v1 · #171523 · protein
Human GTP cyclohydrolase I in complex with allosteric inhibitor
6Z88 · GTP cyclohydrolase 1: “Human GTP cyclohydrolase I in complex with allosteric inhibitor”. X-ray diffraction, 2 ligands (QBK, ZN), 20 pockets (best druggability 0.77). MolNFT v1 #171523 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6Z88
- Type
- protein
- Length
- 1,678 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTP cyclohydrolase 1
- EC
- 3.5.4.16
- UniProt
- P30793
- Ligands
- QBK, ZN
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 10 distinct chains · 47% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GTP cyclohydrolase 1 (EC 3.5.4.16) | protein | 175 | 45% helix, 26% strand | P30793 |
| B | GTP cyclohydrolase 1 (EC 3.5.4.16) | protein | 171 | 49% helix, 26% strand | P30793 |
| C | GTP cyclohydrolase 1 (EC 3.5.4.16) | protein | 170 | 48% helix, 26% strand | P30793 |
| D | GTP cyclohydrolase 1 (EC 3.5.4.16) | protein | 167 | 49% helix, 26% strand | P30793 |
| E | GTP cyclohydrolase 1 (EC 3.5.4.16) | protein | 168 | 45% helix, 26% strand | P30793 |
| F | GTP cyclohydrolase 1 (EC 3.5.4.16) | protein | 168 | 48% helix, 26% strand | P30793 |
| G | GTP cyclohydrolase 1 (EC 3.5.4.16) | protein | 163 | 48% helix, 28% strand | P30793 |
| H | GTP cyclohydrolase 1 (EC 3.5.4.16) | protein | 170 | 48% helix, 26% strand | P30793 |
| I | GTP cyclohydrolase 1 (EC 3.5.4.16) | protein | 160 | 46% helix, 28% strand | P30793 |
| J | GTP cyclohydrolase 1 (EC 3.5.4.16) | protein | 166 | 48% helix, 26% strand | P30793 |
Ligands and binding sites
- QBK · 5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione · ligand · 10 copies · chains A, E, C, B, F, I, D, H, J, G
- ZN · Zinc ion · metal · 2 copies · chains B, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 457 | 0.77 | 0.85 | 41 | empty |
| 2 | 465 | 0.76 | 0.85 | 39 | empty |
| 3 | 59 | 0.72 | 0.97 | 20 | empty |
| 4 | 56 | 0.72 | 0.98 | 22 | empty |
| 5 | 944 | 0.70 | 0.74 | 85 | empty |
Interfaces
27 interfaces between chains.
- A–D · 1553 Ų buried · 16 hydrogen bonds · protein-protein
- F–G · 1462 Ų buried · 14 hydrogen bonds · protein-protein
- C–H · 1435 Ų buried · 15 hydrogen bonds · protein-protein
- B–E · 1431 Ų buried · 18 hydrogen bonds · protein-protein
- I–J · 1313 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
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 P30793
- Elsewhere: RCSB PDB 6Z88 · PDBe 6Z88 · UniProt P30793
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