MolNFT v1 · #11259 · protein
Crystal structure of bacterial ATP sulfurylase from the riftia pachyptila symbiont
1JHD · Sulfate adenylyltransferase: “Crystal structure of bacterial ATP sulfurylase from the riftia pachyptila symbiont”. X-ray diffraction, 2 ligands (BR, SO4), 4 pockets (best druggability 0.67). MolNFT v1 #11259 on GenesisL1: 3D…
- PDB
- 1JHD
- Type
- protein
- Length
- 396 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfate adenylyltransferase
- EC
- 2.7.7.4
- UniProt
- Q54506
- Ligands
- BR, SO4
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfate adenylyltransferase (EC 2.7.7.4) | protein | 396 | 37% helix, 19% strand | Q54506 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 431 | 0.67 | 0.79 | 40 | SO4, BR |
| 2 | 248 | 0.56 | 0.78 | 34 | BR |
| 3 | 86 | 0.33 | 0.74 | 19 | empty |
| 4 | 53 | 0.25 | 0.73 | 12 | empty |
Compared structures
- 1JHD · Crystal Structure of Bacterial ATP Sulfurylase from the Riftia pachyptila Symbiont · the same entry in another collection · chain A against A, TM-score 1.00
- Q54506 · AlphaFold monomer V2.0 prediction for sulfate adenylyltransferase (Q54506) · a predicted model of the same protein · chain A against A, TM-score 0.87
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 Q54506
- Elsewhere: RCSB PDB 1JHD · PDBe 1JHD · UniProt Q54506
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