Structure of PDB 3ai8 Chain B

Receptor sequence
>3ai8B (length=256) Species: 9606 (Homo sapiens) [Search protein sequence]
LKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDRICIHTNA
HVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHV
GCRPYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGY
NSYSVSNSEKDIMAEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGG
HAIRILGWGVENGTPYWLVANSWNTDWGDNGFFKILRGQDHCGIESEVVA
GIPRTD
3D structure
PDB3ai8 Novel mechanism of cathepsin B inhibition by antibiotic nitroxoline and related compounds
ChainB
Resolution2.11 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) Q23 C29 H199 N219
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 HNQ B Q23 G24 S25 C26 H110 H111 C119 G121 W221 Q25 G26 S27 C28 H112 H113 C121 G123 W223 MOAD: Ki=271.8uM
PDBbind-CN: -logKd/Ki=3.81,Ki=154.4uM
BindingDB: Ki=271800nM
Gene Ontology
Molecular Function
GO:0008234 cysteine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:3ai8, PDBe:3ai8, PDBj:3ai8
PDBsum3ai8
PubMed21598397
UniProtP07858|CATB_HUMAN Cathepsin B (Gene Name=CTSB)

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