MolNFT v1 · #108475 · protein
Crystal structure of full-length split GFP mutant E115C disulfide dimer, P 1 21 1 space group
4W7X · Fluorescent protein E115C/T118H: “Crystal structure of full-length split GFP mutant E115C disulfide dimer, P 1 21 1 space group”. X-ray diffraction, 1 ligand (CRO), 10 pockets (best druggability 0.83). MolNFT v1 #108475 on…
- PDB
- 4W7X
- Type
- protein
- Length
- 878 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fluorescent protein E115C/T118H
- Ligands
- CRO
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 10% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fluorescent protein E115C/T118H | protein | 220 | 9% helix, 53% strand | — |
| B | Fluorescent protein E115C/T118H | protein | 220 | 11% helix, 53% strand | — |
| C | Fluorescent protein E115C/T118H | protein | 223 | 11% helix, 52% strand | — |
| D | Fluorescent protein E115C/T118H | protein | 215 | 10% helix, 54% strand | — |
Ligands and binding sites
- CRO · {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 173 | 0.83 | 0.97 | 24 | CRO |
| 2 | 129 | 0.81 | 0.98 | 30 | CRO |
| 3 | 113 | 0.80 | 0.98 | 29 | CRO |
| 4 | 116 | 0.79 | 0.97 | 26 | CRO |
| 5 | 568 | 0.70 | 0.79 | 73 | empty |
Interfaces
3 interfaces between chains.
- C–D · 880 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 820 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 708 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 cofactor, 2 disulfide (chromophore, disulfide).
Compared structures
- 4W7X · Crystal Structure of Full-Length Split GFP Mutant E115C Disulfide Dimer, P 1 21 1 Space… · 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
- Elsewhere: RCSB PDB 4W7X · PDBe 4W7X
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