Structure of PDB 1e8k Chain A Binding Site BS01

Receptor Information
>1e8k Chain A (length=172) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSRSKVFFDITIGGKASGRIVMELYDDVVPKTAGNFRALCTGENGIGKSG
KPLHFKGSKFHRIIPNFMIQGGDFTRGNGTGGESIYGEKFPDENFKEKHT
GPGVLSMANAGPNTNGSQFFLCTVKTEWLDGKHVVFGRVVEGLDVVKAVE
SNGSQSGKPVKDCMIADCGQLK
Ligand information
Ligand IDALA
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
CACTVS 3.341C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)N
FormulaC3 H7 N O2
NameALANINE
ChEMBLCHEMBL279597
DrugBankDB00160
ZINCZINC000004658553
PDB chain1e8k Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1e8k The First Direct Determination of a Ligand Binding Constant in Protein Crystals
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S4 K5 A108 N109 H133 Q170 K172
Binding residue
(residue number reindexed from 1)		S4 K5 A108 N109 H133 Q170 K172
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R62 F67 Q70 N109 F120 L129 H133
Catalytic site (residue number reindexed from 1) R62 F67 Q70 N109 F120 L129 H133
Enzyme Commision number 5.2.1.8: peptidylprolyl isomerase.
Gene Ontology
Molecular Function
GO:0003755 peptidyl-prolyl cis-trans isomerase activity
GO:0005515 protein binding
GO:0016018 cyclosporin A binding
Biological Process
GO:0000413 protein peptidyl-prolyl isomerization
GO:0006457 protein folding
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1e8k, PDBe:1e8k, PDBj:1e8k
PDBsum1e8k
PubMed11180378
UniProtP52011|CYP3_CAEEL Peptidyl-prolyl cis-trans isomerase 3 (Gene Name=cyn-3)

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