MolNFT v1 · #107850 · protein
Crystal structure of the titin M10-obscurin ig domain 1 complex
4UOW: “Crystal structure of the titin M10-obscurin ig domain 1 complex”. X-ray diffraction, 2 ligands (NA, CL), 20 pockets (best druggability 0.74). MolNFT v1 #107850 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UOW
- Type
- protein
- Length
- 3,420 residues
- Chains
- 36
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Titin; Obscurin
- EC
- 2.7.11.1
- UniProt
- Q8WZ42, Q5VST9
- Ligands
- NA, CL
- Pockets
- 20 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 63% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| 0, 2, 4, 6, 8, A, C, E, G, I, K, M, O, Q, S, U, W, Y | Titin (EC 2.7.11.1) | protein | 97 | 3% helix, 61% strand | Q8WZ42 |
| 1, 3, 5, 7, 9, B, D, F, H, J, L, N, P, R, T, V, X, Z | Obscurin (EC 2.7.11.1) | protein | 93 | 3% helix, 66% strand | Q5VST9 |
Ligands and binding sites
- NA · Sodium ion · metal · chains P
- CL · Chloride ion · ion · 8 copies · chains 0, 1, A, B, E, F, M, N, Q, R, S, T, W, X, Y, Z
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 | 890 | 0.74 | 0.78 | 105 | empty |
| 2 | 779 | 0.73 | 0.79 | 85 | empty |
| 3 | 798 | 0.73 | 0.79 | 57 | empty |
| 4 | 813 | 0.73 | 0.78 | 68 | empty |
| 5 | 751 | 0.73 | 0.79 | 83 | empty |
Interfaces
74 interfaces between chains.
- 8–9 · 710 Ų buried · 15 hydrogen bonds · protein-protein
- K–L · 709 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 708 Ų buried · 16 hydrogen bonds · protein-protein
- I–J · 707 Ų buried · 13 hydrogen bonds · protein-protein
- 2–3 · 705 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 4UOW · Crystal structure of the titin M10-Obscurin Ig domain 1 complex · the same entry in another collection · chain 0 against 0, 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
- Every structure of UniProt Q5VST9
- Elsewhere: RCSB PDB 4UOW · PDBe 4UOW · UniProt Q8WZ42 · UniProt Q5VST9
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