MolNFT v1 · #153188 · protein
Chondroitin SULFATE/DERMATAN sulfate endolytic 4-O-sulfatase
6J66 · Chondroitin SULFATE/DERMATAN sulfate 4-O-endosulfatase…: “Chondroitin SULFATE/DERMATAN sulfate endolytic 4-O-sulfatase”. X-ray diffraction, 1 ligand (CA), 7 pockets (best druggability 0.65). MolNFT v1 #153188 on GenesisL1: 3D…
- PDB
- 6J66
- Type
- protein
- Length
- 951 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chondroitin SULFATE/DERMATAN sulfate 4-O-endosulfatase protein
- EC
- 3.1.6.12
- UniProt
- A0A0C5AQI9
- Ligands
- CA
- Pockets
- 7 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chondroitin SULFATE/DERMATAN sulfate 4-O-endosulfatase protein (EC 3.1.6.12) | protein | 475 | 30% helix, 17% strand | A0A0C5AQI9 |
| B | Chondroitin SULFATE/DERMATAN sulfate 4-O-endosulfatase protein (EC 3.1.6.12) | protein | 476 | 31% helix, 17% strand | A0A0C5AQI9 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 456 | 0.65 | 0.78 | 50 | empty |
| 2 | 394 | 0.59 | 0.75 | 41 | empty |
| 3 | 385 | 0.58 | 0.75 | 43 | empty |
| 4 | 136 | 0.43 | 0.76 | 25 | empty |
| 5 | 107 | 0.38 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1784 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 6J66 · Chondroitin sulfate/dermatan sulfate endolytic 4-O-sulfatase · 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 A0A0C5AQI9
- Elsewhere: RCSB PDB 6J66 · PDBe 6J66 · UniProt A0A0C5AQI9
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