MolNFT v1 · #31224 · protein

Expression, crystallization and three-dimensional structure of the catalytic domain of human plasma kallikrein: implications for structure-based design of protease inhibitors

2ANW · Plasma kallikrein, light chain: “Expression, crystallization and three-dimensional structure of the catalytic domain of human plasma…”. X-ray diffraction, 1 ligand (BEN), 2 pockets (best druggability 0.37). MolNFT v1 #31224 on…

PDB: 2ANW
Type: protein
Length: 238 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Plasma kallikrein, light chain
EC: 3.4.21.34
UniProt: P03952
Ligands: BEN
Pockets: 2 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Plasma kallikrein, light chain (EC 3.4.21.34)	protein	238	15% helix, 36% strand	P03952

Ligands and binding sites

BEN · Benzamidine · ligand · chains A

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

Pockets

2 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	68	0.37	0.78	18	empty
2	52	0.27	0.74	14	empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

2ANW · Expression, crystallization and three-dimensional structure of the catalytic domain of… · 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 2ANW · PDBe 2ANW · UniProt P03952

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