Structure of PDB 4oel Chain A Binding Site BS01

Receptor Information
>4oel Chain A (length=281) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTPANCTYLDLLGTWVFQVGSSGSQRDVNCSVMGPQEKKVVVYLQKLDTA
YDDLGNSGHFTIIYNQGFEIVLNDYKWFAFFKYKEEGSKVTTYCNETMTG
WVHDVLGRNWACFTGKKVLHLPTSWDWRNVHGINFVSPVRNQASCGSCYS
FASMGMLEARIRILTNNSQTPILSPQEVVSCSQYAQGCEGGFPYLIAGKY
AQDFGLVEEACFPYTGTDSPCKMKEDCFRYYSSEYHYVGGFYGGCNEALM
KLELVHHGPMAVAFEVYDDFLHYKKGIYHHT
Ligand information
Ligand IDSER
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyMTCFGRXMJLQNBG-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CO)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)O
CACTVS 3.341N[C@@H](CO)C(O)=O
ACDLabs 10.04O=C(O)C(N)CO
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)O
FormulaC3 H7 N O3
NameSERINE
ChEMBLCHEMBL11298
DrugBankDB00133
ZINCZINC000000895034
PDB chain4oel Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4oel The amino-acid substituents of dipeptide substrates of cathepsin C can determine the rate-limiting steps of catalysis.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D1 C234 G276 G277 F278
Binding residue
(residue number reindexed from 1)		D1 C148 G190 G191 F192
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=7.00,Ki=0.1uM
Enzymatic activity
Catalytic site (original residue number in PDB) Q228 C234
Catalytic site (residue number reindexed from 1) Q142 C148
Enzyme Commision number 3.4.14.1: dipeptidyl-peptidase I.
Gene Ontology
Molecular Function
GO:0008234 cysteine-type peptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4oel, PDBe:4oel, PDBj:4oel
PDBsum4oel
PubMed22928782
UniProtP53634|CATC_HUMAN Dipeptidyl peptidase 1 (Gene Name=CTSC)

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