MolNFT v1 · #191150 · protein
Trai trans-esterase domain from PKM101 (apo)
8A1B: “Trai trans-esterase domain from PKM101 (apo)”. X-ray diffraction, 2 ligands (MN, CL), 4 pockets (best druggability 0.42). MolNFT v1 #191150 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 8A1B
- Type
- protein
- Length
- 295 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trai
- UniProt
- D9Z5Q2
- Ligands
- MN, CL
- Pockets
- 4 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trai | protein | 295 | 39% helix, 23% strand | D9Z5Q2 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 161 | 0.42 | 0.74 | 31 | empty |
| 2 | 130 | 0.40 | 0.75 | 30 | empty |
| 3 | 58 | 0.33 | 0.77 | 15 | empty |
| 4 | 65 | 0.29 | 0.74 | 21 | empty |
Compared structures
- 8A1B · TraI trans-esterase domain from pKM101 (apo) · 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 D9Z5Q2
- Elsewhere: RCSB PDB 8A1B · PDBe 8A1B · UniProt D9Z5Q2
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