MolNFT v1 · #104346 · protein
The crystal structure of a possible lipase from chitinophaga pinensis dsm 2588
4Q7Q · Lipolytic protein G-D-S-L family: “The crystal structure of a possible lipase from chitinophaga pinensis dsm 2588”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.67). MolNFT v1 #104346 on GenesisL1: 3D structure…
- PDB
- 4Q7Q
- Type
- protein
- Length
- 516 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipolytic protein G-D-S-L family
- UniProt
- C7PNH7
- Ligands
- CL
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipolytic protein G-D-S-L family | protein | 259 | 37% helix, 17% strand | C7PNH7 |
| B | Lipolytic protein G-D-S-L family | protein | 257 | 36% helix, 17% strand | C7PNH7 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
- FMT · Formic acid · additive · 4 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 299 | 0.67 | 0.83 | 31 | empty |
| 2 | 186 | 0.65 | 0.85 | 24 | empty |
| 3 | 95 | 0.43 | 0.78 | 20 | PG4 |
| 4 | 84 | 0.42 | 0.79 | 20 | empty |
| 5 | 74 | 0.39 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 646 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 4Q7Q · The crystal structure of a possible lipase from Chitinophaga pinensis DSM 2588 · 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 C7PNH7
- Elsewhere: RCSB PDB 4Q7Q · PDBe 4Q7Q · UniProt C7PNH7
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