MolNFT v1 · #173018 · protein
Human gch-gfrp inhibitory complex 7-deaza-GTP bound
7ALQ · GTP cyclohydrolase 1: “Human gch-gfrp inhibitory complex 7-deaza-GTP bound”. X-ray diffraction, 4 ligands (QBQ, HBI, ZN), 20 pockets (best druggability 0.87). MolNFT v1 #173018 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7ALQ
- Type
- protein
- Length
- 5,519 residues
- Chains
- 40
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTP cyclohydrolase 1; GTP cyclohydrolase 1 feedback regulatory protein
- EC
- 3.5.4.16
- UniProt
- P30793, P30047
- Ligands
- QBQ, HBI, ZN, K
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T | GTP cyclohydrolase 1 (EC 3.5.4.16) | protein | 192 | 47% helix, 26% strand | P30793 |
| a, b, c, d, e, g, h, i, j, k, l, m, n, o, p, q, r, s, t | GTP cyclohydrolase 1 feedback regulatory protein | protein | 84 | 20% helix, 43% strand | P30047 |
| f | GTP cyclohydrolase 1 feedback regulatory protein | protein | 83 | 18% helix, 41% strand | P30047 |
Ligands and binding sites
- QBQ · 7-deaza-GTP · ligand · 20 copies · chains A, E, F, B, J, C, I, D, H, G, K, O, P, L, T, M, S, N, R, Q
- HBI · 7,8-dihydrobiopterin · ligand · 20 copies · chains A, E, B, C, D, F, J, G, H, I, K, O, L, M, N, P, T, Q, R, S
- ZN · Zinc ion · metal · 20 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T
- K · Potassium ion · metal · 20 copies · chains a, b, c, d, e, f, g, h, i, j, 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 | 734 | 0.87 | 0.91 | 68 | empty |
| 2 | 633 | 0.86 | 0.91 | 58 | empty |
| 3 | 605 | 0.86 | 0.91 | 61 | empty |
| 4 | 570 | 0.85 | 0.91 | 55 | empty |
| 5 | 369 | 0.78 | 0.87 | 51 | HBI, K |
Interfaces
120 interfaces between chains.
- E–F · 2052 Ų buried · 17 hydrogen bonds · protein-protein
- D–G · 2047 Ų buried · 19 hydrogen bonds · protein-protein
- O–P · 2043 Ų buried · 18 hydrogen bonds · protein-protein
- N–Q · 2040 Ų buried · 17 hydrogen bonds · protein-protein
- A–J · 2038 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 7ALQ · human GCH-GFRP inhibitory complex 7-deaza-GTP bound · the same entry in another collection · chain K against K, 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 P30793
- Every structure of UniProt P30047
- Elsewhere: RCSB PDB 7ALQ · PDBe 7ALQ · UniProt P30793 · UniProt P30047
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