MolNFT v1 · #191212 · protein
The NADPH binding site on beef liver catalase
8CAT: “The NADPH binding site on beef liver catalase”. X-ray diffraction, 2 ligands (HEM, NDP), 12 pockets (best druggability 0.84). MolNFT v1 #191212 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 8CAT
- Type
- protein
- Length
- 996 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catalase
- EC
- 1.11.1.6
- UniProt
- P00432
- Ligands
- HEM, NDP
- Pockets
- 12 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Catalase (EC 1.11.1.6) | protein | 498 | 33% helix, 17% strand | P00432 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 283 | 0.84 | 0.95 | 43 | HEM |
| 2 | 270 | 0.84 | 0.95 | 42 | HEM |
| 3 | 1007 | 0.81 | 0.82 | 79 | empty |
| 4 | 813 | 0.78 | 0.81 | 74 | empty |
| 5 | 286 | 0.65 | 0.81 | 45 | NDP |
Interfaces
1 interface between chains.
- A–B · 4866 Ų buried · 70 hydrogen bonds · protein-protein
Compared structures
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 P00432
- Elsewhere: RCSB PDB 8CAT · PDBe 8CAT · UniProt P00432
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