5TJX: Human plasma kallikrein

Structure of human plasma kallikrein. Determined by X-ray diffraction at 1.41 Å resolution. Released 21 Dec 2016.

Method: X-ray diffraction
Resolution: 1.41 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,244
Mol. weight: 30.14 kDa
Ligands: PO4, GBT
Released: 21 Dec 2016

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

Secondary structure: helices and β-sheets

5TJX contains 9 α-helices and 22 β-strands across 1 chain. 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: 9 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	392	1	1
β-strand	395-396	2	2
β-strand	405-411	7	3
β-strand	415-425	11	3
β-strand	428-431	4	3
α-helix	433-436	4
β-strand	445-448	4	3
β-strand	453	1	4
α-helix	454-456	3
β-strand	464	1	3
β-strand	466-471	6	3
β-strand	485-489	5	3
α-helix	492-495	4
β-strand	496	1	5
β-strand	499	1	5
α-helix	501-502	2
β-strand	503	1	2
α-helix	504-505	2
β-strand	517-521	5	2
β-strand	534	1	4
α-helix	535	1
β-strand	536-539	4	2
β-strand	542-543	2	2
α-helix	545-551	7
β-strand	561-564	4	2
β-strand	572	1	1
β-strand	581-586	6	2
β-strand	589-598	10	2
β-strand	609-613	5	2
α-helix	614-617	4
α-helix	618-625	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Plasma kallikrein	A	protein	263	Homo sapiens	P03952 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5TJX_1 Plasma kallikrein (chains A)
NTGDNSVCTTKTSTRIVGGTESSWGEWPWQVSLQVKLTAQRHLCGGSLIGHQWVLTAAHC
FDGLPLQDVWRIYSGILELSDITKDTPFSQIKEIIIHQNYKVSEGNHDIALIKLQAPLEY
TEFQKPISLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNIPLVTNEECQKRYQDY
KITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGEGCARREQPGVYTKVA
EYMDWILEKTQSSDGKAQMQSPA

Ligands and cofactors

ID	Name	Formula	Copies
PO4	Phosphate ion	O4 P	2
GBT	(8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6…	C29 H33 N7 O3	1

Primary citation

Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors. Li, Z., Partridge, J., Silva-Garcia, A. et al. ACS Med Chem Lett (2017) 8:185-190. DOI 10.1021/acsmedchemlett.6b00384 · PubMed

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…
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…
5F8X 1.55 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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