MolNFT v1 · #163071 · protein
Golgi alpha-mannosidase II in complex with (2S,3R)-2-(hydroxymethyl)- 3-piperidinol
6RRX · Alpha-mannosidase 2: “Golgi alpha-mannosidase II in complex with (2S,3R)-2-(hydroxymethyl)- 3-piperidinol”. X-ray diffraction, 2 ligands (KFW, ZN), 9 pockets (best druggability 0.80). MolNFT v1 #163071 on GenesisL1: 3D structure…
- PDB
- 6RRX
- Type
- protein
- Length
- 994 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-mannosidase 2
- EC
- 3.2.1.114
- UniProt
- Q24451
- Ligands
- KFW, ZN
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-mannosidase 2 (EC 3.2.1.114) | protein | 994 | 24% helix, 30% strand | Q24451 |
Ligands and binding sites
- KFW · (2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol · ligand · chains A
- ZN · Zinc ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 906 | 0.80 | 0.82 | 112 | EDO |
| 2 | 132 | 0.80 | 0.97 | 33 | empty |
| 3 | 277 | 0.64 | 0.81 | 33 | empty |
| 4 | 159 | 0.50 | 0.78 | 25 | KFW |
| 5 | 123 | 0.44 | 0.77 | 25 | empty |
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 6RRX · GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-3-piperidinol · the same entry in another collection · 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 Q24451
- Elsewhere: RCSB PDB 6RRX · PDBe 6RRX · UniProt Q24451
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