Structure of PDB 3s3q Chain A

Receptor sequence
>3s3qA (length=254) Species: 6183 (Schistosoma mansoni) [Search protein sequence]
VEIPSSFDSRKKWPRCKSIATIRDQSRCGSCWAFGAVEAMSDRSCIQSGG
KQNVELSAVDLLSCCESCGLGCEGGILGPAWDYWVKEGIVTGSSKENHAG
CEPYPFPKCEHHTKGKYPPCGSKIYKTPRCKQTCQKKYKTPYTQDKHRGK
SSYNVKNDEKAIQKEIMKYGPVEAGFTVYEDFLNYKSGIYKHITGETLGG
HAIRIIGWGVENKAPYWLIANSWNEDWGENGYFRIVRGRDECSIESEVTA
GRIN
3D structure
PDB3s3q Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
ChainA
Resolution1.8 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) Q94 C100 H270 N290
Catalytic site (residue number reindexed from 1) Q25 C31 H201 N221
Enzyme Commision number 3.4.22.1: cathepsin B.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 C1P A Q94 G98 C100 W101 E142 G143 G144 L146 I193 V247 G269 H270 W292 Q25 G29 C31 W32 E73 G74 G75 L77 I124 V178 G200 H201 W223 PDBbind-CN: -logKd/Ki=8.77,IC50=1.71nM
Gene Ontology
Molecular Function
GO:0008234 cysteine-type peptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3s3q, PDBe:3s3q, PDBj:3s3q
PDBsum3s3q
PubMed21832058
UniProtQ8MNY2

[Back to BioLiP]