MolNFT v1 · #163788 · protein
Chimeric titin Z1Z2 functionalized with a kler exogenous peptide from decorin
6SDB · TITIN,DECORIN,TITIN: “Chimeric titin Z1Z2 functionalized with a kler exogenous peptide from decorin”. X-ray diffraction, 2 ligands (SO4, PO4), 6 pockets (best druggability 0.65). MolNFT v1 #163788 on GenesisL1: 3D structure, binding…
- PDB
- 6SDB
- Type
- protein
- Length
- 780 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TITIN,DECORIN,TITIN
- EC
- 2.7.11.1
- UniProt
- Q8WZ42, P07585
- Ligands
- SO4, PO4
- Pockets
- 6 · best druggability 0.65
Structure
x-ray diffraction · 5 distinct chains · 5% helix, 63% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TITIN,DECORIN,TITIN (EC 2.7.11.1) | protein | 195 | 5% helix, 63% strand | Q8WZ42, P07585 |
| B | TITIN,DECORIN,TITIN (EC 2.7.11.1) | protein | 196 | 5% helix, 63% strand | Q8WZ42, P07585 |
| C | TITIN,DECORIN,TITIN (EC 2.7.11.1) | protein | 99 | 6% helix, 62% strand | Q8WZ42, P07585 |
| D | TITIN,DECORIN,TITIN (EC 2.7.11.1) | protein | 97 | 3% helix, 62% strand | Q8WZ42, P07585 |
| E | TITIN,DECORIN,TITIN (EC 2.7.11.1) | protein | 193 | 5% helix, 63% strand | Q8WZ42, P07585 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains B
- PO4 · Phosphate ion · ion · chains E
- ACT · Acetate ion · additive · 11 copies · chains A, C, B, D, E
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 544 | 0.65 | 0.76 | 39 | empty |
| 2 | 179 | 0.50 | 0.77 | 23 | empty |
| 3 | 165 | 0.47 | 0.76 | 26 | empty |
| 4 | 98 | 0.40 | 0.77 | 20 | empty |
| 5 | 101 | 0.37 | 0.75 | 20 | empty |
Interfaces
5 interfaces between chains.
- A–C · 661 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 477 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 456 Ų buried · 13 hydrogen bonds · protein-protein
- C–E · 442 Ų buried · 7 hydrogen bonds · protein-protein
- A–E · 175 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
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 Q8WZ42
- Every structure of UniProt P07585
- Elsewhere: RCSB PDB 6SDB · PDBe 6SDB · UniProt Q8WZ42 · UniProt P07585
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