MolNFT v1 · #94209 · protein
Crystal structure of a proposed galactarolactone cycloisomerase from agrobacterium tumefaciens, target efi-500704, with bound ca, ordered loops
4HPN · Putative uncharacterized protein: “Crystal structure of a proposed galactarolactone cycloisomerase from agrobacterium tumefaciens, target…”. X-ray diffraction, 2 ligands (CA, NI), 2 pockets (best druggability 0.65). MolNFT v1 #94209…
- PDB
- 4HPN
- Type
- protein
- Length
- 378 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein
- UniProt
- A9CEQ8
- Ligands
- CA, NI
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein | protein | 378 | 40% helix, 21% strand | A9CEQ8 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- NI · Nickel (II) ion · metal · chains A
- IMD · Imidazole · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.65 | 0.81 | 34 | empty |
| 2 | 117 | 0.52 | 0.81 | 20 | empty |
Compared structures
- 4HPN · Crystal structure of a proposed galactarolactone cycloisomerase from Agrobacterium… · the same entry in another collection · chain A against A, TM-score 1.00
- A9CEQ8 · AlphaFold monomer V2.0 prediction for D-galactarolactone cycloisomerase (A9CEQ8) · a predicted model of the same protein · chain A 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 A9CEQ8
- Elsewhere: RCSB PDB 4HPN · PDBe 4HPN · UniProt A9CEQ8
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