MolNFT v1 · #167931 · protein
Crystal structure of had hydrolase, family ia, variant 3 from entamoeba histolytica hm-1:IMSS
6W04: “Crystal structure of had hydrolase, family ia, variant 3 from entamoeba histolytica hm-1:IMSS”. X-ray diffraction, 2 ligands (MG, SO4), 1 pocket (best druggability 0.72). MolNFT v1 #167931 on GenesisL1: 3D structure, binding sites…
- PDB
- 6W04
- Type
- protein
- Length
- 223 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Had hydrolase, family ia, variant 3
- EC
- 3.-.-.-
- UniProt
- C4LXK0
- Ligands
- MG, SO4
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Had hydrolase, family ia, variant 3 (EC 3.-.-.-) | protein | 223 | 54% helix, 13% strand | C4LXK0 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 549 | 0.72 | 0.81 | 47 | MG, EDO, SO4 |
Compared structures
- 6W04 · Crystal structure of HAD hydrolase, family IA, variant 3 from Entamoeba histolytica… · the same entry in another collection · chain A against A, 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 C4LXK0
- Elsewhere: RCSB PDB 6W04 · PDBe 6W04 · UniProt C4LXK0
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