MolNFT v1 · #139896 · protein
Crystal structure of baculoviral sulfhydryl oxidase P33 (C155A, C158A mutant)
5XTN · FAD-linked sulfhydryl oxidase: “Crystal structure of baculoviral sulfhydryl oxidase P33 (C155A, C158A mutant)”. X-ray diffraction, 1 ligand (FAD), 20 pockets (best druggability 0.75). MolNFT v1 #139896 on GenesisL1: 3D structure…
- PDB
- 5XTN
- Type
- protein
- Length
- 992 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAD-linked sulfhydryl oxidase
- EC
- 1.8.3.2
- UniProt
- P41480
- Ligands
- FAD
- Pockets
- 20 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 68% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FAD-linked sulfhydryl oxidase (EC 1.8.3.2) | protein | 240 | 70% helix, 3% strand | P41480 |
| B | FAD-linked sulfhydryl oxidase (EC 1.8.3.2) | protein | 245 | 70% helix, 2% strand | P41480 |
| C | FAD-linked sulfhydryl oxidase (EC 1.8.3.2) | protein | 253 | 68% helix, 2% strand | P41480 |
| D | FAD-linked sulfhydryl oxidase (EC 1.8.3.2) | protein | 254 | 67% helix, 2% strand | P41480 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 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, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 262 | 0.75 | 0.88 | 38 | empty |
| 2 | 984 | 0.74 | 0.77 | 53 | empty |
| 3 | 786 | 0.74 | 0.79 | 68 | FAD |
| 4 | 381 | 0.73 | 0.84 | 50 | empty |
| 5 | 289 | 0.73 | 0.86 | 42 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1762 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1628 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 606 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 426 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 151 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5XTN · Crystal structure of baculoviral sulfhydryl oxidase P33 (C155A, C158A mutant) · 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 P41480
- Elsewhere: RCSB PDB 5XTN · PDBe 5XTN · UniProt P41480
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