MolNFT v1 · #40444 · protein
Structure of giardia fructose-1,6-biphosphate aldolase in complex with phosphoglycolohydroxamate
2ISV · Putative fructose-1,6-bisphosphate aldolase: “Structure of giardia fructose-1,6-biphosphate aldolase in complex with phosphoglycolohydroxamate”. X-ray diffraction, 2 ligands (PGH, ZN), 4 pockets (best druggability 0.44). MolNFT v1…
- PDB
- 2ISV
- Type
- protein
- Length
- 605 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative fructose-1,6-bisphosphate aldolase
- EC
- 4.1.2.13
- UniProt
- O97447
- Ligands
- PGH, ZN
- Pockets
- 4 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative fructose-1,6-bisphosphate aldolase (EC 4.1.2.13) | protein | 298 | 51% helix, 12% strand | O97447 |
| B | Putative fructose-1,6-bisphosphate aldolase (EC 4.1.2.13) | protein | 307 | 50% helix, 14% strand | O97447 |
Ligands and binding sites
- PGH · Phosphoglycolohydroxamic acid · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 103 | 0.44 | 0.79 | 21 | ZN, PGH |
| 2 | 71 | 0.42 | 0.81 | 20 | PGH |
| 3 | 56 | 0.38 | 0.81 | 16 | empty |
| 4 | 51 | 0.27 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 2183 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 2ISV · Structure of Giardia fructose-1,6-biphosphate aldolase in complex with… · 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 O97447
- Elsewhere: RCSB PDB 2ISV · PDBe 2ISV · UniProt O97447
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