MolNFT v1 · #106675 · protein
Kutzneria sp. 744 ornithine N-hydroxylase, ktzi-fadox-NADP+-L-orn
4TLZ: “Kutzneria sp. 744 ornithine N-hydroxylase, ktzi-fadox-NADP+-L-orn”. X-ray diffraction, 4 ligands (FAD, NAP, ORN), 15 pockets (best druggability 0.85). MolNFT v1 #106675 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4TLZ
- Type
- protein
- Length
- 1,660 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ktzi
- UniProt
- A8CF85
- Ligands
- FAD, NAP, ORN, K
- Pockets
- 15 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Ktzi | protein | 415 | 34% helix, 25% strand | A8CF85 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, D, B, C
- ORN · L-ornithine · ligand · 4 copies · chains A, B, C, D
- K · Potassium ion · metal · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 723 | 0.85 | 0.88 | 77 | FAD, NAP, ORN |
| 2 | 906 | 0.84 | 0.86 | 90 | FAD, NAP, ORN |
| 3 | 963 | 0.84 | 0.86 | 103 | FAD, NAP, ORN |
| 4 | 677 | 0.84 | 0.88 | 70 | FAD, NAP, ORN |
| 5 | 302 | 0.64 | 0.80 | 43 | empty |
Interfaces
6 interfaces between chains.
- B–C · 1849 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 1827 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1300 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1295 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 1045 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4TLZ · Kutzneria sp. 744 ornithine N-hydroxylase, KtzI-FADox-NADP+-L-orn · 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 A8CF85
- Elsewhere: RCSB PDB 4TLZ · PDBe 4TLZ · UniProt A8CF85
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