MolNFT v1 · #171247 · protein
Crystal structure of saicar synthetase (purc) from mycobacterium abscessus in complex with inhibitor
6YYB · Phosphoribosylaminoimidazole-succinocarboxamide synthase: “Crystal structure of saicar synthetase (purc) from mycobacterium abscessus in complex with inhibitor”. X-ray diffraction, 2 ligands (Q0Q, SO4), 2 pockets (best druggability…
- PDB
- 6YYB
- Type
- protein
- Length
- 294 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoribosylaminoimidazole-succinocarboxamide synthase
- EC
- 6.3.2.6
- UniProt
- B1MHW4
- Ligands
- Q0Q, SO4
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoribosylaminoimidazole-succinocarboxamide synthase (EC 6.3.2.6) | protein | 294 | 32% helix, 25% strand | B1MHW4 |
Ligands and binding sites
- Q0Q · 4-azanyl-6-[1-[(1~{R})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile · ligand · chains A
- SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 564 | 0.65 | 0.77 | 49 | SO4 |
| 2 | 120 | 0.47 | 0.78 | 17 | Q0Q |
Compared structures
- 6YYB · Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- B1MHW4 · AlphaFold monomer V2.0 prediction for phosphoribosylaminoimidazole- succinocarboxamide… · a predicted model of the same protein · chain A against A, TM-score 0.95
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 B1MHW4
- Elsewhere: RCSB PDB 6YYB · PDBe 6YYB · UniProt B1MHW4
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