MolNFT v1 · #107080 · protein
Tgp, an extremely thermostable green fluorescent protein created by structure-guided surface engineering
4TZA: “Tgp, an extremely thermostable green fluorescent protein created by structure-guided surface engineering”. X-ray diffraction, 1 ligand (CRQ), 8 pockets (best druggability 0.78). MolNFT v1 #107080 on GenesisL1: 3D structure, binding…
- PDB
- 4TZA
- Type
- protein
- Length
- 854 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fluorescent protein
- Ligands
- CRQ
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, B, D | Fluorescent protein | protein | 213 | 5% helix, 58% strand | — |
| A | Fluorescent protein | protein | 215 | 5% helix, 58% strand | — |
Ligands and binding sites
- CRQ · [2-(3-carbamoyl-1-imino-propyl)-4-(4-hydroxy-benzylidene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid · ligand · 4 copies · chains C, A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 986 | 0.78 | 0.80 | 113 | empty |
| 2 | 1152 | 0.75 | 0.78 | 112 | empty |
| 3 | 80 | 0.75 | 0.97 | 27 | CRQ |
| 4 | 78 | 0.75 | 0.98 | 28 | CRQ |
| 5 | 83 | 0.74 | 0.97 | 24 | CRQ |
Interfaces
6 interfaces between chains.
- C–A · 904 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 597 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 246 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 100 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 98 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 cofactor (chromophore).
Compared structures
- 4TZA · TGP, an extremely thermostable green fluorescent protein created by structure-guided… · the same entry in another collection · chain C against C, 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 4TZA · PDBe 4TZA
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