MolNFT v1 · #174502 · protein
Crystal structure of CA_00311 form II
7BXC · Gdsl-like LIPASE/ACYLHYDROLASE: “Crystal structure of CA_00311 form II”. X-ray diffraction, 1 ligand (PO4), 20 pockets (best druggability 0.86). MolNFT v1 #174502 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7BXC
- Type
- protein
- Length
- 3,298 residues
- Chains
- 15
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gdsl-like LIPASE/ACYLHYDROLASE
- UniProt
- A0A381K2L8
- Ligands
- PO4
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, K, L, M, N, O | Gdsl-like LIPASE/ACYLHYDROLASE | protein | 220 | 45% helix, 15% strand | A0A381K2L8 |
| J | Gdsl-like LIPASE/ACYLHYDROLASE | protein | 218 | 44% helix, 16% strand | A0A381K2L8 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 30 copies · chains A, F, B, E, C, D, G, L, H, K, I, J, M, N, O
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 988 | 0.86 | 0.87 | 82 | empty |
| 2 | 691 | 0.85 | 0.89 | 87 | PO4 |
| 3 | 573 | 0.85 | 0.90 | 71 | empty |
| 4 | 448 | 0.84 | 0.91 | 53 | empty |
| 5 | 408 | 0.83 | 0.91 | 41 | empty |
Interfaces
36 interfaces between chains.
- A–F · 1219 Ų buried · 7 hydrogen bonds · protein-protein
- G–L · 1215 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 1209 Ų buried · 7 hydrogen bonds · protein-protein
- I–J · 1207 Ų buried · 6 hydrogen bonds · protein-protein
- H–K · 1203 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 7BXC · Crystal structure of Ca_00311 form II · 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 A0A381K2L8
- Elsewhere: RCSB PDB 7BXC · PDBe 7BXC · UniProt A0A381K2L8
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