MolNFT v1 · #106677 · protein
Kutzneria sp. 744 ornithine N-hydroxylase, ktzi-fadred-NADP+-br
4TM1: “Kutzneria sp. 744 ornithine N-hydroxylase, ktzi-fadred-NADP+-br”. X-ray diffraction, 3 ligands (FDA, NAP, BR), 15 pockets (best druggability 0.86). MolNFT v1 #106677 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4TM1
- Type
- protein
- Length
- 1,656 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ktzi
- UniProt
- A8CF85
- Ligands
- FDA, NAP, BR
- Pockets
- 15 · best druggability 0.86
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 | 414 | 34% helix, 25% 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 · 35 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1175 | 0.86 | 0.87 | 142 | BR, FDA, NAP |
| 2 | 981 | 0.85 | 0.86 | 95 | FDA, NAP |
| 3 | 1112 | 0.84 | 0.85 | 113 | FDA, NAP, BR |
| 4 | 1027 | 0.83 | 0.84 | 99 | FDA, NAP, BR |
| 5 | 323 | 0.65 | 0.81 | 50 | BR |
Interfaces
6 interfaces between chains.
- A–D · 1777 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 1774 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 1321 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 1312 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 1039 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4TM1 · Kutzneria sp. 744 ornithine N-hydroxylase, KtzI-FADred-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 4TM1 · PDBe 4TM1 · UniProt A8CF85
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