MolNFT v1 · #108437 · protein
Crystal structure of full-length split GFP mutant E115H/T118H with copper mediated crystal contacts, P 43 21 2 space group
4W6T · Fluorescent protein E115H/T118H: “Crystal structure of full-length split GFP mutant E115H/T118H with copper mediated crystal contacts, P 43 21…”. X-ray diffraction, 3 ligands (CRO, CU, BR), 2 pockets (best druggability 0.80). MolNFT…
- PDB
- 4W6T
- Type
- protein
- Length
- 226 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fluorescent protein E115H/T118H
- Ligands
- CRO, CU, BR
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fluorescent protein E115H/T118H | protein | 226 | 11% 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 · chains A
- CU · Copper (II) ion · metal · 2 copies · chains A
- BR · Bromide ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 11 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 134 | 0.80 | 0.97 | 28 | CRO, EDO |
| 2 | 70 | 0.38 | 0.79 | 17 | empty |
Modifications
Observed in the structure: 2 cofactor (chromophore).
Compared structures
- 4W6T · Crystal Structure of Full-Length Split GFP Mutant E115H/T118H With Copper Mediated… · 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 4W6T · PDBe 4W6T
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