MolNFT v1 · #45622 · protein
Structure and 15N relaxation data of calmodulin bound to the endothelial nitric oxide synthase calmodulin binding domain peptide at physiological calcium concentration
2N8J: “Structure and 15N relaxation data of calmodulin bound to the endothelial nitric oxide synthase calmodulin…”. Solution nmr, 2 pockets (best druggability 0.49). MolNFT v1 #45622 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2N8J
- Type
- protein
- Length
- 170 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Nitric oxide synthase, endothelial
- UniProt
- P62158, P29474
- Pockets
- 2 · best druggability 0.49
Structure
solution nmr · 2 distinct chains · 36% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 148 | 37% helix, 5% strand | P62158 |
| B | Nitric oxide synthase, endothelial | protein | 22 | 32% helix, 0% strand | P29474 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 156 | 0.49 | 0.78 | 30 | empty |
| 2 | 65 | 0.30 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1208 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2N8J · Structure and 15N relaxation data of Calmodulin bound to the endothelial Nitric Oxide… · 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 P62158
- Every structure of UniProt P29474
- Elsewhere: RCSB PDB 2N8J · PDBe 2N8J · UniProt P62158 · UniProt P29474
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