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Kallikrein-7 in complex with COMPOUND1

Analyse Kallikrein-7 in complex with COMPOUND1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5FAH
Type: protein
Length: 218 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Kallikrein-7
EC: 3.4.21.117
UniProt: P49862
Ligands: 5VT
Pockets: 1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Kallikrein-7 (EC 3.4.21.117)	protein	218	9% helix, 38% strand	P49862

Ligands and binding sites

5VT · (2~{S})-~{N}2-[2-(4-methoxyphenyl)ethyl]-~{N}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide · ligand · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	116	0.52	0.82	27	5VT

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

5FAH · Kallikrein-7 in complex with COMPOUND1 · the same entry in another collection · chain A against A, TM-score 1.00
P49862 · AlphaFold monomer V2.0 prediction for kallikrein-7 (P49862) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P49862
Elsewhere: RCSB PDB 5FAH · PDBe 5FAH · UniProt P49862

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