MolNFT v1 · #106679 · protein
Kutzneria sp. 744 ornithine N-hydroxylase, ktzi-fadox-red-NADP+-br
4TM4: “Kutzneria sp. 744 ornithine N-hydroxylase, ktzi-fadox-red-NADP+-br”. X-ray diffraction, 3 ligands (FDA, NAP, BR), 20 pockets (best druggability 0.85). MolNFT v1 #106679 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4TM4
- Type
- protein
- Length
- 1,657 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ktzi
- UniProt
- A8CF85
- Ligands
- FDA, NAP, BR
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Ktzi | protein | 414 | 33% helix, 24% strand | A8CF85 |
| B | Ktzi | protein | 415 | 33% helix, 24% strand | A8CF85 |
Ligands and binding sites
- FDA · Dihydroflavine-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, D, B, C
- BR · Bromide ion · ion · 31 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 876 | 0.85 | 0.87 | 95 | FDA, NAP, BR |
| 2 | 871 | 0.85 | 0.87 | 103 | FDA, NAP, BR |
| 3 | 900 | 0.85 | 0.86 | 89 | FDA, NAP, BR |
| 4 | 1077 | 0.84 | 0.85 | 100 | FDA, NAP, BR |
| 5 | 381 | 0.68 | 0.81 | 55 | BR |
Interfaces
6 interfaces between chains.
- A–D · 1815 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 1788 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1326 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 1312 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 1028 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4TM4 · Kutzneria sp. 744 ornithine N-hydroxylase, KtzI-FADox-red-NADP+-Br · 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 4TM4 · PDBe 4TM4 · UniProt A8CF85
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