Structure of PDB 3i45 Chain A Binding Site BS01

Receptor Information
>3i45 Chain A (length=378) Species: 269796 (Rhodospirillum rubrum ATCC 11170) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLEAIRIGEINSYSQIPAFTLPYRNGWQLAVEQINAAGGLLGGRPLEVIS
RDDGGDPGKAVTAAQELLTRHGVHALAGTFLSHVGLAVSDFARQRKVLFM
ASEPLTDALTWEKGNRYTYRLRPSTYMQAAMLAAEAAKLPITRWATIAPN
YEYGQSAVARFKELLLAARPEVTFVAEQWPALYKLDAGPTVQALQQAEPE
GLFNVLFGADLPKFVREGRVRGLFAGRQVVSMLTGEPEYLNPLKDEAPEG
WIVTGYPWYDIDTAPHRAFVEAYRARWKEDPFVGSLVGYNTLTAMAVAFE
KAGGTESETLVETLKDMAFSTPMGPLSFRASDHQSTMGAWVGRTALRDGK
GVMVDWRYVDGGSVLPPPEVVSAWRPAG
Ligand information
Ligand IDNIO
InChIInChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKeyPVNIIMVLHYAWGP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1cccnc1
OpenEye OEToolkits 1.5.0c1cc(cnc1)C(=O)O
CACTVS 3.341OC(=O)c1cccnc1
FormulaC6 H5 N O2
NameNICOTINIC ACID
ChEMBLCHEMBL573
DrugBankDB00627
ZINCZINC000000001795
PDB chain3i45 Chain A Residue 500 [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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PDB3i45 CRYSTAL STRUCTURE OF putative twin-arginine translocation pathway signal protein from Rhodospirillum rubrum Atcc 11170
Resolution1.36 Å
Binding residue
(original residue number in PDB)		F81 L82 S83 E104 P105 L106 Y152 Y154 F208 L234
Binding residue
(residue number reindexed from 1)		F80 L81 S82 E103 P104 L105 Y151 Y153 F207 L233
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006865 amino acid transport

View graph for
Biological Process
External links
PDB RCSB:3i45, PDBe:3i45, PDBj:3i45
PDBsum3i45
PubMed
UniProtQ2RWX8

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