Structure of PDB 2xu0 Chain A Binding Site BS01

Receptor Information
>2xu0 Chain A (length=447) Species: 57270 (Plasmodium falciparum Palo Alto/Uganda) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPTLSESHKSARNVLENIGIKIYNQEIKKKNPYEQQLKGTLDGNSCNLDH
LFGRKPCYGREQNRFDENAEAYCNSDKIRGNENNANGAACAPPRRRHICD
QNLEFLDNKNTNTAHDLLGNVLVTAKYEGNYIVNDHPDKNSNGNKAGICT
SLARSFADIGDIVRGRDMFLPNKDDKVQKGLQVVFKKIYKSLTPEARKHY
AHGDGSGNYAKLREDWWTINREQIWKALTCSAPYYADYFRKGSDGTLHFS
SHGKCGHNEGAPPTYLDYVPQFLRWFEEWSEEFCRIKKIKIDKVKKECRD
EQNKKYCSGDGHDCTQTNLAHNQIFVDLDCPRCQDQCIKYNEWIVKKLEE
FYKQNLKYSMEIQKWKKTKNNYYDKEFYENLDKKSYSTIDKFLNLLNNGK
HCHDNKDEKNKIDFNKPIKTFSISEYCKTCPLYGVTCTNRGICIHNS
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain2xu0 Chain A Residue 1493 [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]
PDB2xu0 Structure of a Plasmodium Falciparum Pfemp1 Rosetting Domain Reveals a Role for the N-Terminal Segment in Heparin-Mediated Rosette Inhibition.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		A125 N126 G127 M400
Binding residue
(residue number reindexed from 1)		A85 N86 G87 M360
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046789 host cell surface receptor binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2xu0, PDBe:2xu0, PDBj:2xu0
PDBsum2xu0
PubMed21402930
UniProtB7T1P0

[Back to BioLiP]