Download MendeleyThe crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2
Xu, M., Jiang, L., Xu, P., Luo, Z., Andreasen, P., Huang, M.To be published.
5F8T
The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2
- PDB DOI: https://doi.org/10.2210/pdb5F8T/pdb
- Entry: 5F8T supersedes: 4ZJ5
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Homo sapiens, synthetic construct
- Expression System: Komagataella pastoris
- Mutation(s): Yes
- Deposited: 2015-12-09 Released: 2016-12-14
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.75 ?
- R-Value Free: 0.245
- R-Value Work: 0.231
- R-Value Observed: 0.231
Starting Model: experimental
View more details
wwPDB Validation 3D Report Full Report
This is version 1.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Plasma kallikrein light chain | 239 | Homo sapiens | Mutation(s): 1 Gene Names: KLKB1, KLK3 EC: 3.4.21.34 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P03952 (Homo sapiens) Explore P03952 Go to UniProtKB: P03952 | |||||
PHAROS: P03952 GTEx: ENSG00000164344 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P03952 | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| CYS-PRO-LYS-ARG-PHE-M70-ALA-LEU-PHE-CYS | B [auth P] | 10 | synthetic construct | Mutation(s): 0 |  |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MRZ Query on MRZ | G [auth P] | piperidine-1-carboximidamide C6 H13 N3 QUUYRYYUKNNNNS-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | C [auth A], D [auth A], E [auth A], F [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.75 ?
- R-Value Free: 0.245
- R-Value Work: 0.231
- R-Value Observed: 0.231
- Space Group: P 65
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 90.153 | ¦Á = 90 |
| b = 90.153 | ¦Â = 90 |
| c = 57.26 | ¦Ă = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-2000 | data scaling |
Entry History
Deposition Data
Revision History (Full details and data files)
- Version 1.0: 2016-12-14
Type: Initial release - Version 1.1: 2023-11-08
Changes: Data collection, Database references, Derived calculations, Refinement description
