MolNFT v1 · #108636 · protein
Crystal structure of hisap form arthrobacter aurescens
4WD0 · 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)…: “Crystal structure of hisap form arthrobacter aurescens”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.64). MolNFT v1 #108636 on GenesisL1: 3D structure, binding…
- PDB
- 4WD0
- Type
- protein
- Length
- 230 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino) methylideneamino] imidazole-4-carboxamide…
- EC
- 5.3.1.16
- UniProt
- A1R562
- Ligands
- CL
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino) methylideneamino] imidazole-4-carboxamide isomerase (EC 5.3.1.16) | protein | 230 | 42% helix, 27% strand | A1R562 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 474 | 0.64 | 0.77 | 55 | CL, TRS |
| 2 | 111 | 0.45 | 0.79 | 19 | empty |
Compared structures
- 4WD0 · Crystal structure of HisAp form Arthrobacter aurescens · the same entry in another collection · chain A against A, TM-score 1.00
- A1R562 · AlphaFold monomer V2.0 prediction for 1-(5-phosphoribosyl)-5-[(5-PHOSPHORIBOSYLAMINO)METHY… · a predicted model of the same protein · chain A against A, TM-score 0.90
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 A1R562
- Elsewhere: RCSB PDB 4WD0 · PDBe 4WD0 · UniProt A1R562
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