MolNFT v1 · #15439 · protein
Protein geranylgeranyltransferase type-I complexed with a geranylgeranylated kkksktkcvil peptide product
1N4R · Protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERASE type…: “Protein geranylgeranyltransferase type-I complexed with a geranylgeranylated kkksktkcvil peptide product”. X-ray diffraction, 4 ligands (GER, ZN, CL), 20 pockets (best…
- PDB
- 1N4R
- Type
- protein
- Length
- 3,996 residues
- Chains
- 18
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERASE type- 1 subunit alpha…
- EC
- 2.5.1.58, 2.5.1.59
- UniProt
- Q04631, P53610
- Ligands
- GER, ZN, CL, SO4
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 59% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERASE type- 1 subunit alpha (EC 2.5.1.58, 2.5.1.59) | protein | 314 | 68% helix, 1% strand | Q04631 |
| B, D, F, H, J, L | Geranylgeranyl transferase type-1 subunit beta (EC 2.5.1.59) | protein | 346 | 53% helix, 6% strand | P53610 |
| M, N, O, P, Q, R | Fusion protein consisting of transforming protein P21B and RAS related protein rap-2B | protein | 6 | 0% helix, 0% strand | — |
Ligands and binding sites
- GER · Geran-8-yl geran · ligand · 6 copies · chains B, M, D, N, F, O, H, P, J, Q, L, R
- ZN · Zinc ion · metal · 6 copies · chains B, M, D, N, F, O, H, P, J, Q, L, R
- CL · Chloride ion · ion · 7 copies · chains C, D, F, G, H, J, A, K
- SO4 · Sulfate ion · ion · 6 copies · chains B, D, F, H, J, L
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 6 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
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 | 823 | 0.84 | 0.87 | 93 | MES, SO4, GER |
| 2 | 759 | 0.84 | 0.87 | 90 | MES, SO4, GER |
| 3 | 635 | 0.83 | 0.88 | 68 | MES, SO4, GER |
| 4 | 442 | 0.82 | 0.89 | 47 | MES, SO4, GER |
| 5 | 422 | 0.82 | 0.89 | 45 | MES, SO4, GER |
Interfaces
28 interfaces between chains.
- K–L · 3226 Ų buried · 51 hydrogen bonds · protein-protein
- I–J · 3208 Ų buried · 53 hydrogen bonds · protein-protein
- E–F · 3186 Ų buried · 52 hydrogen bonds · protein-protein
- G–H · 3166 Ų buried · 55 hydrogen bonds · protein-protein
- C–D · 3145 Ų buried · 51 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 lipid (geranylgeranylation).
Compared structures
- 1N4R · Protein Geranylgeranyltransferase type-I Complexed with a Geranylgeranylated KKKSKTKCVIL… · 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 Q04631
- Every structure of UniProt P53610
- Elsewhere: RCSB PDB 1N4R · PDBe 1N4R · UniProt Q04631 · UniProt P53610
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