MolNFT v1 · #10891 · protein
Solution structure of a novel chromoprotein derived from apo- neocarzinostatin and a synthetic chromophore
1J5I · Protein (apo-neocarzinostatin): “Solution structure of a novel chromoprotein derived from apo- neocarzinostatin and a synthetic chromophore”. Solution nmr, 1 ligand (NCZ), 1 pocket (best druggability 0.33). MolNFT v1 #10891 on…
- PDB
- 1J5I
- Type
- protein
- Length
- 113 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (apo-neocarzinostatin)
- UniProt
- P0A3R9
- Ligands
- NCZ
- Pockets
- 1 · best druggability 0.33
Structure
solution nmr · 1 distinct chain · 0% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (apo-neocarzinostatin) | protein | 113 | 0% helix, 46% strand | P0A3R9 |
Ligands and binding sites
- NCZ · 2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.33 | 0.77 | 18 | NCZ |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1J5I · Solution Structure of a Novel Chromoprotein Derived from Apo-Neocarzinostatin and a… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A3R9 · AlphaFold monomer V2.0 prediction for neocarzinostatin (P0A3R9) · a predicted model of the same protein · chain A against A, TM-score 0.77
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 P0A3R9
- Elsewhere: RCSB PDB 1J5I · PDBe 1J5I · UniProt P0A3R9
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