MolNFT v1 · #100121 · protein
Crystal structure of udp-N-acetylgalactopyranose mutase from campylobacter jejuni
4MO2 · Udp-galactopyranose mutase: “Crystal structure of udp-N-acetylgalactopyranose mutase from campylobacter jejuni”. X-ray diffraction, 4 ligands (FDA, FAD, SO4), 6 pockets (best druggability 0.83). MolNFT v1 #100121 on GenesisL1: 3D…
- PDB
- 4MO2
- Type
- protein
- Length
- 728 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
- Q0P8H5
- Ligands
- FDA, FAD, SO4, NH4
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Udp-galactopyranose mutase (EC 5.4.99.9) | protein | 365 | 36% helix, 21% strand | Q0P8H5 |
| A | Udp-galactopyranose mutase (EC 5.4.99.9) | protein | 363 | 35% helix, 21% strand | Q0P8H5 |
Ligands and binding sites
- FDA · Dihydroflavine-adenine dinucleotide · ligand · chains B
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains B, A
- NH4 · Ammonium ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1106 | 0.83 | 0.84 | 92 | FAD |
| 2 | 1186 | 0.80 | 0.82 | 103 | FDA |
| 3 | 827 | 0.75 | 0.80 | 87 | empty |
| 4 | 85 | 0.35 | 0.75 | 18 | empty |
| 5 | 70 | 0.34 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- B–A · 1024 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4MO2 · Crystal Structure of UDP-N-acetylgalactopyranose mutase from Campylobacter jejuni · the same entry in another collection · chain B against B, 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 Q0P8H5
- Elsewhere: RCSB PDB 4MO2 · PDBe 4MO2 · UniProt Q0P8H5
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