MolNFT v1 · #108796 · protein
Immediate-early 1 protein (IE1) of rhesus macaque cytomegalovirus
4WIC · RHUL123: “Immediate-early 1 protein (IE1) of rhesus macaque cytomegalovirus”. X-ray diffraction, 15 pockets (best druggability 0.74). MolNFT v1 #108796 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4WIC
- Type
- protein
- Length
- 1,379 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RHUL123
- UniProt
- Q2FAE9
- Pockets
- 15 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 83% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | RHUL123 | protein | 349 | 84% helix, 0% strand | Q2FAE9 |
| B | RHUL123 | protein | 341 | 84% helix, 0% strand | Q2FAE9 |
| D | RHUL123 | protein | 340 | 82% helix, 0% strand | Q2FAE9 |
Pockets
15 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 424 | 0.74 | 0.84 | 61 | empty |
| 2 | 761 | 0.72 | 0.78 | 62 | empty |
| 3 | 977 | 0.72 | 0.76 | 91 | empty |
| 4 | 1028 | 0.72 | 0.76 | 65 | empty |
| 5 | 367 | 0.71 | 0.83 | 49 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2632 Ų buried · 35 hydrogen bonds · protein-protein
- C–D · 2631 Ų buried · 39 hydrogen bonds · protein-protein
- B–D · 684 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 314 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 154 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4WIC · Immediate-early 1 protein (IE1) of rhesus macaque cytomegalovirus · the same entry in another collection · chain A against A, 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 Q2FAE9
- Elsewhere: RCSB PDB 4WIC · PDBe 4WIC · UniProt Q2FAE9
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