MolNFT v1 · #106676 · protein
Kutzneria sp. 744 ornithine N-hydroxylase, ktzi-fadred-ox-NADP+-L-orn
4TM0: “Kutzneria sp. 744 ornithine N-hydroxylase, ktzi-fadred-ox-NADP+-L-orn”. X-ray diffraction, 4 ligands (FAD, NAP, ORN), 10 pockets (best druggability 0.85). MolNFT v1 #106676 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4TM0
- Type
- protein
- Length
- 1,658 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
- 10 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Ktzi | protein | 415 | 35% helix, 25% strand | A8CF85 |
| B, C | Ktzi | protein | 414 | 35% helix, 24% 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
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 823 | 0.85 | 0.87 | 79 | FAD, NAP, ORN |
| 2 | 848 | 0.85 | 0.87 | 85 | FAD, NAP, ORN |
| 3 | 847 | 0.84 | 0.87 | 85 | FAD, NAP, ORN |
| 4 | 1111 | 0.84 | 0.85 | 120 | FAD, NAP, ORN |
| 5 | 474 | 0.72 | 0.82 | 57 | empty |
Interfaces
6 interfaces between chains.
- A–D · 1856 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 1853 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 1305 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 1294 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 1135 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4TM0 · Kutzneria sp. 744 ornithine N-hydroxylase, KtzI-FADred-ox-NADP+-L-orn · the same entry in another collection · chain B against B, 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 4TM0 · PDBe 4TM0 · UniProt A8CF85
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