MolNFT v1 · #67738 · protein
Crystal structure of SCO3058 with bound citrate and glycerol
3ITC · Renal dipeptidase: “Crystal structure of SCO3058 with bound citrate and glycerol”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.65). MolNFT v1 #67738 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ITC
- 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
- ZN
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Renal dipeptidase | protein | 392 | 52% helix, 13% strand | Q93J45 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A
- CIT · Citric acid · additive · chains A
- GOL · Glycerol · additive · chains A
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 | 484 | 0.65 | 0.77 | 41 | ZN, CIT, GOL |
| 2 | 69 | 0.34 | 0.76 | 18 | empty |
Compared structures
- 3ITC · Crystal structure of Sco3058 with bound citrate and glycerol · 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 Q93J45
- Elsewhere: RCSB PDB 3ITC · PDBe 3ITC · UniProt Q93J45
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