MolNFT v1 · #7881 · protein
Histidine ammonia-lyase (hal) mutant F329G from pseudomonas putida
1GK2: “Histidine ammonia-lyase (hal) mutant F329G from pseudomonas putida”. X-ray diffraction, 1 ligand (SO4), 12 pockets (best druggability 0.84). MolNFT v1 #7881 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1GK2
- Type
- protein
- Length
- 2,036 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histidine ammonia-lyase
- EC
- 4.3.1.3
- UniProt
- P21310
- Ligands
- SO4
- Pockets
- 12 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 59% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Histidine ammonia-lyase (EC 4.3.1.3) | protein | 509 | 59% helix, 7% strand | P21310 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, D, B, C
- GOL · Glycerol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1122 | 0.84 | 0.85 | 120 | SO4 |
| 2 | 1025 | 0.83 | 0.84 | 112 | SO4 |
| 3 | 610 | 0.68 | 0.77 | 89 | empty |
| 4 | 488 | 0.65 | 0.77 | 56 | empty |
| 5 | 101 | 0.45 | 0.79 | 19 | empty |
Interfaces
6 interfaces between chains.
- B–C · 3378 Ų buried · 73 hydrogen bonds · protein-protein
- A–D · 3355 Ų buried · 71 hydrogen bonds · protein-protein
- A–C · 2935 Ų buried · 30 hydrogen bonds · protein-protein
- B–D · 2932 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 253 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1GK2 · Histidine Ammonia-Lyase (HAL) Mutant F329G from Pseudomonas putida · the same entry in another collection · chain A against A, TM-score 1.00
- P21310 · AlphaFold monomer V2.0 prediction for histidine ammonia-lyase (P21310) · 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 P21310
- Elsewhere: RCSB PDB 1GK2 · PDBe 1GK2 · UniProt P21310
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