MolNFT v1 · #150564 · protein
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FACD752MS after reaction initiation
6GXD · Fluoroacetate dehalogenase: “The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FACD752MS after…”. X-ray diffraction, 2 ligands (FAH, CL), 2 pockets (best druggability 0.42). MolNFT v1…
- PDB
- 6GXD
- Type
- protein
- Length
- 596 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fluoroacetate dehalogenase
- UniProt
- Q6NAM1
- Ligands
- FAH, CL
- Pockets
- 2 · best druggability 0.42
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fluoroacetate dehalogenase | protein | 298 | 47% helix, 16% strand | Q6NAM1 |
| B | Fluoroacetate dehalogenase | protein | 298 | 48% helix, 16% strand | Q6NAM1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 132 | 0.42 | 0.76 | 24 | empty |
| 2 | 121 | 0.40 | 0.75 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1169 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6GXD · The hit-and-return system enables efficient time-resolved serial synchrotron… · the same entry in another collection · chain A against A, TM-score 1.00
- Q6NAM1 · AlphaFold monomer V2.0 prediction for fluoroacetate dehalogenase (Q6NAM1) · a predicted model of the same protein · chain B 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
- Every structure of UniProt Q6NAM1
- Elsewhere: RCSB PDB 6GXD · PDBe 6GXD · UniProt Q6NAM1
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