MolNFT v1 · #108436 · protein
Crystal structure of full-length split GFP mutant K126C disulfide dimer, P 43 21 2 space group
4W6S · Fluorescent protein E124H/K126C: “Crystal structure of full-length split GFP mutant K126C disulfide dimer, P 43 21 2 space group”. X-ray diffraction, 2 ligands (CRO, PO4), 3 pockets (best druggability 0.82). MolNFT v1 #108436 on…
- PDB
- 4W6S
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fluorescent protein E124H/K126C
- Ligands
- CRO, PO4
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fluorescent protein E124H/K126C | protein | 217 | 7% helix, 52% 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 · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 163 | 0.82 | 0.97 | 29 | CRO |
| 2 | 129 | 0.79 | 0.97 | 29 | CRO |
| 3 | 117 | 0.49 | 0.80 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 638 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor, 1 disulfide (chromophore, disulfide).
Compared structures
- 4W6S · Crystal Structure of Full-Length Split GFP Mutant K126C Disulfide Dimer, P 43 21 2 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 4W6S · PDBe 4W6S
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