MolNFT v1 · #56238 · protein
Crystal structure of a platinum-bound S445C mutant of pseudomonas sp. MIS38 lipase
2Z8Z: “Crystal structure of a platinum-bound S445C mutant of pseudomonas sp. MIS38 lipase”. X-ray diffraction, 3 ligands (CA, ZN, PT), 5 pockets (best druggability 0.62). MolNFT v1 #56238 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2Z8Z
- Type
- protein
- Length
- 616 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase
- EC
- 3.1.1.3
- UniProt
- Q9RBY1
- Ligands
- CA, ZN, PT
- Pockets
- 5 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipase (EC 3.1.1.3) | protein | 616 | 26% helix, 27% strand | Q9RBY1 |
Ligands and binding sites
- CA · Calcium ion · metal · 11 copies · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- PT · Platinum (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 291 | 0.62 | 0.80 | 48 | empty |
| 2 | 58 | 0.61 | 0.92 | 18 | empty |
| 3 | 58 | 0.54 | 0.88 | 18 | PT |
| 4 | 180 | 0.52 | 0.78 | 33 | empty |
| 5 | 62 | 0.44 | 0.83 | 28 | empty |
Compared structures
- 2Z8Z · Crystal structure of a platinum-bound S445C mutant of Pseudomonas sp. MIS38 lipase · 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 Q9RBY1
- Elsewhere: RCSB PDB 2Z8Z · PDBe 2Z8Z · UniProt Q9RBY1
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