MolNFT v1 · #138641 · protein
Crystal structure HPIC1 Y101F
5WPS · 12-epi-hapalindole C/U synthase: “Crystal structure HPIC1 Y101F”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.80). MolNFT v1 #138641 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5WPS
- Type
- protein
- Length
- 199 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 12-epi-hapalindole C/U synthase
- UniProt
- A0A076NBW8
- Ligands
- CA
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 12-epi-hapalindole C/U synthase | protein | 199 | 0% helix, 45% strand | A0A076NBW8 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- DMS · Dimethyl sulfoxide · additive · 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 | 153 | 0.80 | 0.95 | 24 | TRS, DMS |
Compared structures
- 5WPS · Crystal structure HpiC1 Y101F · 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 A0A076NBW8
- Elsewhere: RCSB PDB 5WPS · PDBe 5WPS · UniProt A0A076NBW8
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