MolNFT v1 · #67709 · protein
Crystal structure of SCO3058 with bound inhibitor L-ala-L-asp phosphinodipeptide
3ISI · Renal dipeptidase: “Crystal structure of SCO3058 with bound inhibitor L-ala-L-asp phosphinodipeptide”. X-ray diffraction, 2 ligands (B88, ZN), 2 pockets (best druggability 0.64). MolNFT v1 #67709 on GenesisL1: 3D structure, binding…
- PDB
- 3ISI
- Type
- protein
- Length
- 392 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Renal dipeptidase
- UniProt
- Q93J45
- Ligands
- B88, ZN
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Renal dipeptidase | protein | 392 | 51% helix, 13% strand | Q93J45 |
Ligands and binding sites
- B88 · (2S)-2-{[(S)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid · ligand · chains X
- ZN · Zinc ion · metal · 2 copies · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 503 | 0.64 | 0.76 | 48 | B88, ZN |
| 2 | 77 | 0.35 | 0.76 | 18 | empty |
Compared structures
- 3ISI · Crystal structure of Sco3058 with bound inhibitor L-Ala-L-Asp Phosphinodipeptide · the same entry in another collection · chain X against X, 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 Q93J45
- Elsewhere: RCSB PDB 3ISI · PDBe 3ISI · UniProt Q93J45
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