MolNFT v1 · #14419 · protein
Crystal structure of P. chrysogenum ATP sulfurylase in the T-state
1M8P · Sulfate adenylyltransferase: “Crystal structure of P. chrysogenum ATP sulfurylase in the T-state”. X-ray diffraction, 1 ligand (PPS), 19 pockets (best druggability 0.68). MolNFT v1 #14419 on GenesisL1: 3D structure, binding sites…
- PDB
- 1M8P
- Type
- protein
- Length
- 1,719 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfate adenylyltransferase
- EC
- 2.7.7.4
- UniProt
- Q12650
- Ligands
- PPS
- Pockets
- 19 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Sulfate adenylyltransferase (EC 2.7.7.4) | protein | 573 | 39% helix, 15% strand | Q12650 |
Ligands and binding sites
- PPS · 3'-phosphate-adenosine-5'-phosphate sulfate · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 620 | 0.68 | 0.77 | 61 | empty |
| 2 | 634 | 0.67 | 0.76 | 64 | empty |
| 3 | 586 | 0.66 | 0.76 | 63 | empty |
| 4 | 82 | 0.59 | 0.88 | 29 | empty |
| 5 | 217 | 0.56 | 0.79 | 31 | PPS |
Interfaces
3 interfaces between chains.
- A–B · 696 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 592 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 557 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1M8P · Crystal Structure of P. chrysogenum ATP Sulfurylase in the T-state · the same entry in another collection · chain A against A, TM-score 1.00
- Q12650 · AlphaFold monomer V2.0 prediction for sulfate adenylyltransferase (Q12650) · 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 Q12650
- Elsewhere: RCSB PDB 1M8P · PDBe 1M8P · UniProt Q12650
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