MolNFT v1 · #118663 · protein
The crystal structure of human plasma kallikrein in complex with its peptide inhibitor pkalin-3
5F8X: “The crystal structure of human plasma kallikrein in complex with its peptide inhibitor pkalin-3”. X-ray diffraction, 2 ligands (MRZ, SO4). MolNFT v1 #118663 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5F8X
- Type
- protein
- Length
- 249 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Plasma kallikrein; Cys-pro-ala-arg-phe-M70-ala-leu-TRP-cys
- EC
- 3.4.21.34
- UniProt
- P03952
- Ligands
- MRZ, SO4
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Plasma kallikrein (EC 3.4.21.34) | protein | 239 | 14% helix, 35% strand | P03952 |
| B | Cys-pro-ala-arg-phe-M70-ala-leu-TRP-cys | protein | 10 | 0% helix, 10% strand | — |
Ligands and binding sites
- MRZ · piperidine-1-carboximidamide · ligand · chains A, B
- SO4 · Sulfate ion · ion · 8 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 634 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 5F8X · The crystal structure of human plasma kallikrein in complex with its peptide inhibitor… · 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 5F8X · PDBe 5F8X · UniProt P03952
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