MolNFT v1 · #67553 · protein
Structure of udp-galactopyranose mutase bound to udp-galactose (oxidized)
3INR: “Structure of udp-galactopyranose mutase bound to udp-galactose (oxidized)”. X-ray diffraction, 2 ligands (FAD, GDU), 3 pockets (best druggability 0.84). MolNFT v1 #67553 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3INR
- Type
- protein
- Length
- 761 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-galactopyranose mutase
- EC
- 5.4.99.9
- UniProt
- Q48485
- Ligands
- FAD, GDU
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-galactopyranose mutase (EC 5.4.99.9) | protein | 383 | 35% helix, 21% strand | Q48485 |
| B | Udp-galactopyranose mutase (EC 5.4.99.9) | protein | 378 | 35% helix, 21% strand | Q48485 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- GDU · Galactose-uridine-5'-diphosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1040 | 0.84 | 0.85 | 97 | FAD, GDU |
| 2 | 1065 | 0.84 | 0.84 | 97 | FAD, GDU |
| 3 | 1035 | 0.77 | 0.79 | 72 | empty |
Interfaces
1 interface between chains.
- A–B · 1142 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3INR · Structure of UDP-galactopyranose mutase bound to UDP-galactose (oxidized) · the same entry in another collection · chain A against A, TM-score 1.00
- Q48485 · AlphaFold monomer V2.0 prediction for udp-galactopyranose mutase (Q48485) · a predicted model of the same protein · chain B 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 Q48485
- Elsewhere: RCSB PDB 3INR · PDBe 3INR · UniProt Q48485
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