MolNFT v1 · #172904 · protein
Titin-N2A IG81-IG83
7AHS · Isoform 5 of titin: “Titin-N2A IG81-IG83”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.61). MolNFT v1 #172904 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7AHS
- Type
- protein
- Length
- 1,086 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoform 5 of titin
- EC
- 2.7.11.1
- UniProt
- Q8WZ42
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Isoform 5 of titin (EC 2.7.11.1) | protein | 271 | 3% helix, 57% strand | Q8WZ42 |
| B, D | Isoform 5 of titin (EC 2.7.11.1) | protein | 272 | 3% helix, 57% strand | Q8WZ42 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 10 copies · chains B, A, C, D
- EDO · 1,2-ethanediol · additive · 19 copies · chains A, B, C, D
- GOL · Glycerol · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 453 | 0.61 | 0.76 | 56 | empty |
| 2 | 378 | 0.59 | 0.76 | 51 | empty |
| 3 | 245 | 0.51 | 0.76 | 26 | SO4 |
| 4 | 174 | 0.46 | 0.76 | 26 | SO4 |
| 5 | 143 | 0.41 | 0.74 | 24 | SO4 |
Interfaces
2 interfaces between chains.
- A–B · 942 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 941 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 7AHS · titin-N2A Ig81-Ig83 · 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 Q8WZ42
- Elsewhere: RCSB PDB 7AHS · PDBe 7AHS · UniProt Q8WZ42
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