MolNFT v1 · #102743 · protein
Crystal structure of C-terminally truncated neuronal calcium sensor (ncs-1) from rattus norvegicus
4OV2 · Neuronal calcium sensor 1: “Crystal structure of C-terminally truncated neuronal calcium sensor (ncs-1) from rattus norvegicus”. X-ray diffraction, 1 ligand (CA), 11 pockets (best druggability 0.73). MolNFT v1 #102743 on GenesisL1…
- PDB
- 4OV2
- Type
- protein
- Length
- 633 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuronal calcium sensor 1
- UniProt
- P62168
- Ligands
- CA
- Pockets
- 11 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 63% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neuronal calcium sensor 1 | protein | 151 | 62% helix, 5% strand | P62168 |
| B | Neuronal calcium sensor 1 | protein | 163 | 64% helix, 5% strand | P62168 |
| C | Neuronal calcium sensor 1 | protein | 156 | 64% helix, 4% strand | P62168 |
| D | Neuronal calcium sensor 1 | protein | 163 | 63% helix, 4% strand | P62168 |
Ligands and binding sites
- CA · Calcium ion · metal · 12 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1024 | 0.73 | 0.76 | 92 | empty |
| 2 | 413 | 0.69 | 0.81 | 40 | empty |
| 3 | 274 | 0.63 | 0.80 | 24 | empty |
| 4 | 70 | 0.48 | 0.83 | 16 | empty |
| 5 | 104 | 0.46 | 0.80 | 25 | empty |
Interfaces
5 interfaces between chains.
- A–D · 1819 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 1677 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 223 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 165 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 92 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4OV2 · Crystal structure of C-terminally truncated Neuronal Calcium Sensor (NCS-1) from Rattus… · the same entry in another collection · chain D against D, TM-score 1.00
- P62168 · AlphaFold monomer V2.0 prediction for neuronal calcium sensor 1 (P62168) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 P62168
- Elsewhere: RCSB PDB 4OV2 · PDBe 4OV2 · UniProt P62168
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