MolNFT v1 · #134939 · protein
Structure of human plasma kallikrein
5TJX: “Structure of human plasma kallikrein”. X-ray diffraction, 2 ligands (GBT, PO4), 4 pockets (best druggability 0.48). MolNFT v1 #134939 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5TJX
- Type
- protein
- Length
- 231 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Plasma kallikrein
- EC
- 3.4.21.34
- UniProt
- P03952
- Ligands
- GBT, PO4
- Pockets
- 4 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Plasma kallikrein (EC 3.4.21.34) | protein | 231 | 11% helix, 36% strand | P03952 |
Ligands and binding sites
- GBT · (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7, 10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno) pyrido[4,3-J][1,9,13,17, 18]benzodioxatriazacyclohenicosin-23-one · ligand · chains A
- PO4 · Phosphate ion · ion · 2 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 | 119 | 0.48 | 0.80 | 24 | GBT |
| 2 | 110 | 0.43 | 0.77 | 23 | GBT, PO4 |
| 3 | 75 | 0.35 | 0.76 | 20 | empty |
| 4 | 64 | 0.33 | 0.76 | 21 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
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 P03952
- Elsewhere: RCSB PDB 5TJX · PDBe 5TJX · UniProt P03952
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