5F8X: Human plasma kallikrein

The crystal structure of human plasma kallikrein in complex with its peptide inhibitor pkalin-3. Determined by X-ray diffraction at 1.55 Å resolution. Released 14 Dec 2016.

Method: X-ray diffraction
Resolution: 1.55 Å
Organisms: Homo sapiens, synthetic construct
Chains: 2
Atoms: 2,204
Mol. weight: 28.95 kDa
Ligands: MRZ
Released: 14 Dec 2016

Explore 5F8X in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5F8X contains 11 α-helices and 23 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 11 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	17	1	1
β-strand	20-21	2	2
β-strand	30-36	7	3
β-strand	38B-48	11	3
β-strand	51-54	4	3
α-helix	56-59	4
α-helix	62-65C	3
β-strand	65D-67	4	3
β-strand	72	1	4
α-helix	73-75	3
β-strand	83	1	3
β-strand	85-90	6	3
β-strand	104-108	5	3
α-helix	111-114	4
β-strand	115	1	5
β-strand	118	1	5
α-helix	120-121	2
β-strand	122	1	2
α-helix	124-125	2
α-helix	130-132	3
β-strand	136-140	5	2
β-strand	154	1	4
α-helix	155	1
β-strand	156-159	4	2
β-strand	162-163	2	2
α-helix	165-170	6
β-strand	180-183	4	2
β-strand	189	1	1
β-strand	198-203	6	2
β-strand	208B-215	10	2
β-strand	226-230	5	2
α-helix	231-234	4
α-helix	235-245	11

Chain B: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	5	1	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Plasma kallikrein	A	protein	239	Homo sapiens	P03952 (AlphaFold model)
Cys-pro-ala-arg-phe-M70-ala-leu-trp-cys	B	protein	10	synthetic construct

Sequence of entity 1 (A), FASTA

>5F8X_1 Plasma kallikrein (chains A)
IVGGTNSSWGEWPWQVSLQVKLTAQRHLCGGSLIGHQWVLTAAHCFDGLPLQDVWRIYSG
ILNLSDITKDTPFSQIKEIIIHQNYKVSEGNHDIALIKLQAPLNYTEFQKPISLPSKGDT
STIYTNCWVTGWGFSKEKGEIQNILQKVNIPLVTNEECQKRYQDYKITQRMVCAGYKEGG
KDACKGDSGGPLVCKHNGMWRLVGITSWGEGCARREQPGVYTKVAEYMDWILEKTQSSD

Sequence of entity 2 (B), FASTA

>5F8X_2 CYS-PRO-ALA-ARG-PHE-M70-ALA-LEU-TRP-CYS (chains B)
CPARFAALWC

Ligands and cofactors

ID	Name	Formula	Copies
MRZ	piperidine-1-carboximidamide	C6 H13 N3	1

Water and common crystallization additives (SO4) are not listed.

Primary citation

The Crystal Structure Of Human Plasma Kallikrein In Complex With Its Peptide Inhibitor Pkalin-3. Xu, M., Jiang, L., Xu, P. et al. To be published.

Other PDB entries of the same protein (UniProt P03952 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6I44 1.36 Å, Allosteric activation of human prekallikrein by apple domain disc rotation
2ANY 1.4 Å, Expression, Crystallization and the Three-dimensional Structure of the Catalytic Domain…
5TJX 1.41 Å, Structure of human plasma kallikrein
6T7P 1.42 Å, human plasmakallikrein protease domain in complex with active site directed inhibitor
5F8Z 1.5 Å, The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor…
10LR 1.58 Å, N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy…
10MW 1.62 Å, N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy…
10MV 1.66 Å, N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy…
6O1S 1.7 Å, Structure of human plasma kallikrein protease domain with inhibitor
10QS 1.73 Å, N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy…
5F8T 1.75 Å, The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor…
9VWT 1.77 Å, The catalytic domain of human plasma kallikrein with peptide inhibitor 070

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