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BioLiP

Structure of PDB 1ike Chain A Binding Site BS02

Receptor Information
>1ike Chain A (length=184) Species: 13249 (Rhodnius prolixus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ACTKNAIAQTGFNKDKYFNGDVWYVTDYLDLEPDDVPKRYCAALAAGTAS
GKLKEALYHYDPKTQDTFYDVSELQVESLGKYTANFKKVDKNGNVKVAVT
AGNYYTFTVMYADDSSALIHTCLHKGNKDLGDLYAVLNRNKDAAAGDKVK
SAVSAATLEFSKFISTKENNCAYDNDSLKSLLTK
Ligand information
Ligand IDHSM
InChIInChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
InChIKeyNTYJJOPFIAHURM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(nc[nH]1)CCN
CACTVS 3.341NCCc1c[nH]cn1
ACDLabs 10.04n1c(cnc1)CCN
FormulaC5 H9 N3
NameHISTAMINE
ChEMBLCHEMBL90
DrugBankDB05381
ZINCZINC000000388081
PDB chain1ike Chain A Residue 190 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ike Ligand-induced heme ruffling and bent no geometry in ultra-high-resolution structures of nitrophorin 4.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D30 L123 G131
Binding residue
(residue number reindexed from 1)		D30 L123 G131
Annotation score1
Enzymatic activity
Enzyme Commision number 1.7.6.1: nitrite dismutase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051381 histamine binding
GO:0070026 nitric oxide binding
Biological Process
GO:0042311 vasodilation
Cellular Component
GO:0005576 extracellular region

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Cellular Component
External links
PDB RCSB:1ike, PDBe:1ike, PDBj:1ike
PDBsum1ike
PubMed11560480
UniProtQ94734|NP4_RHOPR Nitrophorin-4

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