Structure of PDB 1sy1 Chain A Binding Site BS01

Receptor Information
>1sy1 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
AGNYYTFTVMYADDSSALIHVCLHKGNKDLGDLYAVLNRNKDAAAGDKVK
SAVSAATLEFSKFISTKENNCAYDNDSLKSLLTK
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain1sy1 Chain A Residue 185 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1sy1 Role of binding site loops in controlling nitric oxide release: structure and kinetics of mutant forms of nitrophorin 4
Resolution1.01 Å
Binding residue
(original residue number in PDB)		V36 P37 Y40 L57 H59 F68 D70 F86 K88 Y105 L123 K125 L130 L133
Binding residue
(residue number reindexed from 1)		V36 P37 Y40 L57 H59 F68 D70 F86 K88 Y105 L123 K125 L130 L133
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1sy1, PDBe:1sy1, PDBj:1sy1
PDBsum1sy1
PubMed15157102
UniProtQ94734|NP4_RHOPR Nitrophorin-4

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