MolNFT v1 · #9621 · protein
Crystal structure of mutant T145A SQD1 protein complex with NAD and udp-SULFOQUINOVOSE/UDP-glucose
1I2B · Sulfolipid biosynthesis protein SQD1: “Crystal structure of mutant T145A SQD1 protein complex with NAD and udp-SULFOQUINOVOSE/UDP-glucose”. X-ray diffraction, 4 ligands (NAD, UPG, USQ), 1 pocket (best druggability 0.88). MolNFT v1…
- PDB
- 1I2B
- Type
- protein
- Length
- 392 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfolipid biosynthesis protein SQD1
- UniProt
- O48917
- Ligands
- NAD, UPG, USQ, SO4
- Pockets
- 1 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfolipid biosynthesis protein SQD1 | protein | 392 | 42% helix, 19% strand | O48917 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- UPG · Uridine-5'-diphosphate-glucose · ligand · chains A
- USQ · Sulfoquinovose-uridine-C1,5'-diphosphate · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 601 | 0.88 | 0.93 | 72 | NAD, UPG, USQ |
Compared structures
- 1I2B · Crystal structure of mutant T145A SQD1 protein complex with NAD and… · the same entry in another collection · chain A against A, TM-score 1.00
- O48917 · AlphaFold monomer V2.0 prediction for udp-sulfoquinovose synthase, chloroplastic (O48917) · a predicted model of the same protein · 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 O48917
- Elsewhere: RCSB PDB 1I2B · PDBe 1I2B · UniProt O48917
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