MolNFT v1 · #144116 · protein
The structure of atzh: a little known member of the atrazine breakdown pathway
6BJT · DUF4440 domain-containing protein: “The structure of atzh: a little known member of the atrazine breakdown pathway”. X-ray diffraction, 2 pockets (best druggability 0.60). MolNFT v1 #144116 on GenesisL1: 3D structure, binding sites…
- PDB
- 6BJT
- Type
- protein
- Length
- 258 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DUF4440 domain-containing protein
- UniProt
- A0A1A5DB13
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DUF4440 domain-containing protein | protein | 128 | 27% helix, 41% strand | A0A1A5DB13 |
| B | DUF4440 domain-containing protein | protein | 130 | 29% helix, 42% strand | A0A1A5DB13 |
Ligands and binding sites
- ACY · Acetic acid · additive · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains B
- EDO · 1,2-ethanediol · additive · chains A, B
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 | 206 | 0.60 | 0.81 | 21 | empty |
| 2 | 82 | 0.46 | 0.81 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1578 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 6BJT · The structure of AtzH: a little known member of the atrazine breakdown pathway · 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
- Every structure of UniProt A0A1A5DB13
- Elsewhere: RCSB PDB 6BJT · PDBe 6BJT · UniProt A0A1A5DB13
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