MolNFT v1 · #111873 · protein
Human sepiapterin reductase in complex with the cofactor NADP+ and the trypthophan metabolite xanthurenic acid
4Z3K: “Human sepiapterin reductase in complex with the cofactor NADP+ and the trypthophan metabolite xanthurenic acid”. X-ray diffraction, 3 ligands (NAP, 4KL, SO4), 8 pockets (best druggability 0.76). MolNFT v1 #111873 on GenesisL1: 3D…
- PDB
- 4Z3K
- Type
- protein
- Length
- 1,028 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sepiapterin reductase
- EC
- 1.1.1.153
- UniProt
- P35270
- Ligands
- NAP, 4KL, SO4
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Sepiapterin reductase (EC 1.1.1.153) | protein | 257 | 48% helix, 18% strand | P35270 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D
- 4KL · Xanthuric acid · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 6 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 532 | 0.76 | 0.83 | 54 | NAP, 4KL |
| 2 | 1065 | 0.76 | 0.78 | 81 | empty |
| 3 | 494 | 0.76 | 0.84 | 47 | NAP, 4KL, SO4 |
| 4 | 527 | 0.76 | 0.83 | 53 | NAP, 4KL |
| 5 | 507 | 0.75 | 0.83 | 48 | NAP, 4KL, SO4 |
Interfaces
4 interfaces between chains.
- A–C · 1971 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 1957 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 490 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 294 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4Z3K · Human sepiapterin reductase in complex with the cofactor NADP+ and the trypthophan… · the same entry in another collection · chain A against A, TM-score 1.00
- P35270 · AlphaFold monomer V2.0 prediction for sepiapterin reductase (P35270) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P35270
- Elsewhere: RCSB PDB 4Z3K · PDBe 4Z3K · UniProt P35270
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