MolNFT v1 · #31226 · protein
Expression, crystallization and the three-dimensional structure of the catalytic domain of human plasma kallikrein: implications for structure-based design of protease inhibitors
2ANY · Plasma kallikrein, light chain: “Expression, crystallization and the three-dimensional structure of the catalytic domain of human plasma…”. X-ray diffraction, 2 ligands (BEN, PO4), 2 pockets (best druggability 0.47). MolNFT v1…
- PDB
- 2ANY
- Type
- protein
- Length
- 238 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Plasma kallikrein, light chain
- EC
- 3.4.21.34
- UniProt
- P03952
- Ligands
- BEN, PO4
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Plasma kallikrein, light chain (EC 3.4.21.34) | protein | 238 | 10% helix, 36% strand | P03952 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 153 | 0.47 | 0.77 | 28 | BEN |
| 2 | 58 | 0.41 | 0.82 | 15 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2ANY · Expression, Crystallization and the Three-dimensional Structure of the Catalytic Domain… · the same entry in another collection · chain A against A, TM-score 1.00
- P03952 · AlphaFold monomer V2.0 prediction for plasma kallikrein (P03952) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 2ANY · PDBe 2ANY · UniProt P03952
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