Structure of PDB 1p28 Chain A Binding Site BS01

Receptor Information
>1p28 Chain A (length=119) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSSTQSYKDAMGPLVRECMGSVSATEDDFKTVLNRNPLESRTAQCLLACA
LDKVGLISPEGAIYTGDDLMPVMNRLYGFNDFKTVMKAKAVNDCANQVNG
AYPDRCDLIKNFTDCVRNS
Ligand information
Ligand IDHBR
InChIInChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1
InChIKeyROWKJAVDOGWPAT-GSVOUGTGSA-N
SMILES
SoftwareSMILES
CACTVS 3.352C[C@@H](O)C(C)=O
CACTVS 3.352C[CH](O)C(C)=O
OpenEye OEToolkits 1.7.0C[C@H](C(=O)C)O
ACDLabs 11.02O=C(C)C(O)C
OpenEye OEToolkits 1.7.0CC(C(=O)C)O
FormulaC4 H8 O2
NameR,3-HYDROXYBUTAN-2-ONE
ChEMBL
DrugBankDB04364
ZINCZINC000000895240
PDB chain1p28 Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1p28 THE CRYSTAL STRUCTURE OF A COCKROACH PHEROMONE-BINDING PROTEIN SUGGESTS A NEW LIGAND BINDING AND RELEASE MECHANISM
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Y5 Y75
Binding residue
(residue number reindexed from 1)		Y7 Y77
Annotation score1
Binding affinityMOAD: Kd=3.8uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005549 odorant binding

View graph for
Molecular Function
External links
PDB RCSB:1p28, PDBe:1p28, PDBj:1p28
PDBsum1p28
PubMed12766173
UniProtQ8MTC1

[Back to BioLiP]