MolNFT v1 · #106296 · protein
Crystal structure of engineered protein. northeast structural genomics consortium (nesg) target OR497.
4RV1 · Engineered protein OR497: “Crystal structure of engineered protein. northeast structural genomics consortium (nesg) target OR497.”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #106296 on GenesisL1: 3D…
- PDB
- 4RV1
- Type
- protein
- Length
- 2,477 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Engineered protein OR497
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 5 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Engineered protein OR497 | protein | 413 | 75% helix, 0% strand | — |
| B | Engineered protein OR497 | protein | 414 | 72% helix, 0% strand | — |
| C, E | Engineered protein OR497 | protein | 412 | 76% helix, 0% strand | — |
| D | Engineered protein OR497 | protein | 415 | 74% helix, 0% strand | — |
| F | Engineered protein OR497 | protein | 411 | 72% helix, 0% strand | — |
Ligands and binding sites
- ACT · Acetate ion · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 995 | 0.79 | 0.81 | 81 | ACT |
| 2 | 1162 | 0.78 | 0.80 | 138 | empty |
| 3 | 750 | 0.74 | 0.80 | 98 | ACT |
| 4 | 478 | 0.72 | 0.82 | 51 | empty |
| 5 | 477 | 0.70 | 0.81 | 55 | empty |
Interfaces
8 interfaces between chains.
- E–F · 1834 Ų buried · 49 hydrogen bonds · protein-protein
- B–C · 1725 Ų buried · 41 hydrogen bonds · protein-protein
- A–D · 1695 Ų buried · 35 hydrogen bonds · protein-protein
- D–E · 651 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 490 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4RV1 · Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium (NESG)… · the same entry in another collection · chain E against E, 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
- Elsewhere: RCSB PDB 4RV1 · PDBe 4RV1
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