MolNFT v1 · #29382 · protein
Crystal structure of human sepiapterin reductase in complex with NADP+
1Z6Z: “Crystal structure of human sepiapterin reductase in complex with NADP+”. X-ray diffraction, 3 ligands (NAP, CL, SO4), 12 pockets (best druggability 0.77). MolNFT v1 #29382 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1Z6Z
- Type
- protein
- Length
- 1,562 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sepiapterin reductase
- EC
- 1.1.1.153
- UniProt
- P35270
- Ligands
- NAP, CL, SO4
- Pockets
- 12 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Sepiapterin reductase (EC 1.1.1.153) | protein | 264 | 46% helix, 17% strand | P35270 |
| B | Sepiapterin reductase (EC 1.1.1.153) | protein | 261 | 46% helix, 17% strand | P35270 |
| D, F | Sepiapterin reductase (EC 1.1.1.153) | protein | 258 | 46% helix, 17% strand | P35270 |
| E | Sepiapterin reductase (EC 1.1.1.153) | protein | 257 | 46% helix, 18% strand | P35270 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 6 copies · chains A, B, C, D, E, F
- CL · Chloride ion · ion · 11 copies · chains A, B, C, D, E, F
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 449 | 0.77 | 0.85 | 51 | CL, NAP |
| 2 | 613 | 0.77 | 0.83 | 74 | CL, NAP |
| 3 | 518 | 0.76 | 0.84 | 58 | CL, NAP |
| 4 | 484 | 0.76 | 0.84 | 53 | CL, NAP |
| 5 | 469 | 0.76 | 0.84 | 49 | CL, NAP |
Interfaces
6 interfaces between chains.
- A–B · 1970 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1967 Ų buried · 17 hydrogen bonds · protein-protein
- E–F · 1922 Ų buried · 18 hydrogen bonds · protein-protein
- D–F · 264 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 83 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1Z6Z · Crystal Structure of Human Sepiapterin Reductase in complex with NADP+ · the same entry in another collection · chain F against F, TM-score 1.00
- P35270 · AlphaFold monomer V2.0 prediction for sepiapterin reductase (P35270) · a predicted model of the same protein · chain E against A, TM-score 0.98
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 1Z6Z · PDBe 1Z6Z · UniProt P35270
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