MolNFT v1 · #128315 · protein
Isatin hydrolase a (iha) from ralstonia solanacearum
5NMP: “Isatin hydrolase a (iha) from ralstonia solanacearum”. X-ray diffraction, 1 ligand (MN), 20 pockets (best druggability 0.86). MolNFT v1 #128315 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5NMP
- Type
- protein
- Length
- 2,621 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isatin hydrolase
- UniProt
- Q8XYC3
- Ligands
- MN
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 26% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, I | Isatin hydrolase | protein | 265 | 26% helix, 28% strand | Q8XYC3 |
| B, C, F | Isatin hydrolase | protein | 260 | 27% helix, 29% strand | Q8XYC3 |
| D, E, J | Isatin hydrolase | protein | 263 | 26% helix, 28% strand | Q8XYC3 |
| G, H | Isatin hydrolase | protein | 261 | 27% helix, 29% strand | Q8XYC3 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 10 copies · chains A, B, C, D, E, F, G, H, I, J
- SIN · Succinic acid · additive · 8 copies · chains A, B, C, D, E, F, G, H, I, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1120 | 0.86 | 0.87 | 132 | MN, SIN |
| 2 | 743 | 0.77 | 0.81 | 81 | SIN |
| 3 | 592 | 0.71 | 0.80 | 57 | empty |
| 4 | 334 | 0.71 | 0.84 | 43 | empty |
| 5 | 219 | 0.70 | 0.86 | 27 | MN |
Interfaces
21 interfaces between chains.
- I–J · 3831 Ų buried · 59 hydrogen bonds · protein-protein
- C–D · 3635 Ų buried · 56 hydrogen bonds · protein-protein
- E–F · 3628 Ų buried · 59 hydrogen bonds · protein-protein
- A–B · 3567 Ų buried · 50 hydrogen bonds · protein-protein
- G–H · 3558 Ų buried · 50 hydrogen bonds · protein-protein
Compared structures
- 5NMP · Isatin hydrolase A (IHA) from Ralstonia solanacearum · the same entry in another collection · chain I against I, TM-score 1.00
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 Q8XYC3
- Elsewhere: RCSB PDB 5NMP · PDBe 5NMP · UniProt Q8XYC3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.