MolNFT v1 · #183088 · protein
Novel polyester hydrolase leipzig 7 (phl-7)
7NEI: “Novel polyester hydrolase leipzig 7 (phl-7)”. X-ray diffraction, 1 ligand (NA), 3 pockets (best druggability 0.64). MolNFT v1 #183088 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7NEI
- Type
- protein
- Length
- 516 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyester hydrolase leipzig 7 (phl-7)
- Ligands
- NA
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Polyester hydrolase leipzig 7 (phl-7) | protein | 258 | 30% helix, 22% strand | — |
Ligands and binding sites
- NA · Sodium ion · metal · 2 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 | 263 | 0.64 | 0.81 | 36 | empty |
| 2 | 76 | 0.57 | 0.88 | 19 | empty |
| 3 | 54 | 0.33 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 534 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7NEI · Polyester Hydrolase Leipzig 7 (PHL7) in the unliganded state · 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 7NEI · PDBe 7NEI
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