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Structure of human plasma kallikrein

Analyse Structure of human plasma kallikrein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5TJX
Type: protein
Length: 231 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Plasma kallikrein
EC: 3.4.21.34
UniProt: P03952
Ligands: GBT, PO4
Pockets: 4 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Plasma kallikrein (EC 3.4.21.34)	protein	231	11% helix, 36% strand	P03952

Ligands and binding sites

GBT · (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7, 10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno) pyrido[4,3-J][1,9,13,17, 18]benzodioxatriazacyclohenicosin-23-one · ligand · chains A
PO4 · Phosphate ion · ion · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	119	0.48	0.80	24	GBT
2	110	0.43	0.77	23	GBT, PO4
3	75	0.35	0.76	20	empty
4	64	0.33	0.76	21	empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

5TJX · Structure of human plasma kallikrein · 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 0.98

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 5TJX · PDBe 5TJX · UniProt P03952

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