MolNFT v1 · #51223 · protein
Crystal structure of renin with inhibitor 7
2V13: “Crystal structure of renin with inhibitor 7”. X-ray diffraction, 1 ligand (C40), 1 pocket (best druggability 0.74). MolNFT v1 #51223 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2V13
- Type
- protein
- Length
- 329 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Renin
- EC
- 3.4.23.15
- UniProt
- P00797
- Ligands
- C40
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Renin (EC 3.4.23.15) | protein | 329 | 14% helix, 45% strand | P00797 |
Ligands and binding sites
- C40 · N-[(2R,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl]-2-(3-methoxypropoxy)benzamide · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 548 | 0.74 | 0.81 | 48 | C40 |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2V13 · Crystal Structure of Renin with Inhibitor 7 · 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 P00797
- Elsewhere: RCSB PDB 2V13 · PDBe 2V13 · UniProt P00797
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