MolNFT v1 · #128618 · protein
Crystal structure of candida albicans phosphomannose isomerase in complex with inhibitor
5NW7 · Mannose-6-phosphate isomerase: “Crystal structure of candida albicans phosphomannose isomerase in complex with inhibitor”. X-ray diffraction, 2 ligands (9C2, ZN), 4 pockets (best druggability 0.67). MolNFT v1 #128618 on GenesisL1…
- PDB
- 5NW7
- Type
- protein
- Length
- 440 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mannose-6-phosphate isomerase
- EC
- 5.3.1.8
- UniProt
- P34948
- Ligands
- 9C2, ZN
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mannose-6-phosphate isomerase (EC 5.3.1.8) | protein | 440 | 31% helix, 28% strand | P34948 |
Ligands and binding sites
- 9C2 · [(2~{R},3~{R},4~{S})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate · ligand · chains A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.67 | 0.92 | 26 | 9C2 |
| 2 | 94 | 0.38 | 0.76 | 21 | empty |
| 3 | 69 | 0.38 | 0.79 | 19 | empty |
| 4 | 70 | 0.33 | 0.76 | 14 | empty |
Compared structures
- 5NW7 · Crystal structure of candida albicans phosphomannose isomerase in complex with inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P34948 · AlphaFold monomer V2.0 prediction for mannose-6-phosphate isomerase (P34948) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P34948
- Elsewhere: RCSB PDB 5NW7 · PDBe 5NW7 · UniProt P34948
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