MolNFT v1 · #14447 · protein
Crystal structure of the homodimeric bifunctional transformylase and cyclohydrolase enzyme avian atic in complex with aicar and xmp at 1.93 ångströms.
1M9N · Aicar transformylase-imp cyclohydrolase: “Crystal structure of the homodimeric bifunctional transformylase and cyclohydrolase enzyme avian atic in…”. X-ray diffraction, 3 ligands (AMZ, XMP, K), 14 pockets (best druggability 0.84).…
- PDB
- 1M9N
- Type
- protein
- Length
- 1,180 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aicar transformylase-imp cyclohydrolase
- EC
- 2.1.2.3, 3.5.4.10
- UniProt
- P31335
- Ligands
- AMZ, XMP, K
- Pockets
- 14 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aicar transformylase-imp cyclohydrolase (EC 2.1.2.3, 3.5.4.10) | protein | 590 | 43% helix, 19% strand | P31335 |
Ligands and binding sites
- AMZ · Aminoimidazole 4-carboxamide ribonucleotide · ligand · 2 copies · chains A, B
- XMP · Xanthosine-5'-monophosphate · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.84 | 0.97 | 44 | empty |
| 2 | 897 | 0.76 | 0.79 | 72 | empty |
| 3 | 653 | 0.75 | 0.81 | 63 | AMZ |
| 4 | 577 | 0.74 | 0.81 | 67 | AMZ |
| 5 | 500 | 0.73 | 0.82 | 50 | empty |
Interfaces
1 interface between chains.
- A–B · 6115 Ų buried · 99 hydrogen bonds · protein-protein
Compared structures
- 1M9N · Crystal structure of the homodimeric bifunctional transformylase and cyclohydrolase… · the same entry in another collection · chain A against A, TM-score 1.00
- P31335 · AlphaFold monomer V2.0 prediction for bifunctional purine biosynthesis protein atic… · 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 P31335
- Elsewhere: RCSB PDB 1M9N · PDBe 1M9N · UniProt P31335
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