MolNFT v1 · #142210 · protein
Structural basis for the enantioselectivity of est-Y29 toward (S)- ketoprofen
5ZWV: “Structural basis for the enantioselectivity of est-Y29 toward (S)- ketoprofen”. X-ray diffraction, 8 pockets (best druggability 0.78). MolNFT v1 #142210 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5ZWV
- Type
- protein
- Length
- 778 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Est-Y29
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Est-Y29 | protein | 389 | 30% helix, 19% strand | — |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 609 | 0.78 | 0.84 | 53 | empty |
| 2 | 544 | 0.77 | 0.84 | 53 | empty |
| 3 | 178 | 0.60 | 0.82 | 32 | empty |
| 4 | 159 | 0.57 | 0.82 | 34 | empty |
| 5 | 53 | 0.46 | 0.84 | 15 | empty |
Interfaces
1 interface between chains.
- B–A · 1077 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 5ZWV · Structural Basis for the Enantioselectivity of Est-Y29 toward (S)-ketoprofen · the same entry in another collection · chain B against B, 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 5ZWV · PDBe 5ZWV
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