Structure of PDB 2gnw Chain A Binding Site BS01

Receptor Information
>2gnw Chain A (length=165) Species: 4530 (Oryza sativa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALVEDNNAVAVSFSEEQEALVLKSWAILKKDSANIALRFWLKIFEVAPSA
SQMFSFLRNSDVPLEKNPKLKTHAMSVFVMTCEAAAQLRKAGKVTVRDTT
LKRLGATHLKYGVGDAHFEVVKFALLDTIKEEVPADMWSPAMKSAWSEAY
DHLVAAIKQEMKPAE
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 chain2gnw Chain A Residue 166 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gnw Role of phenylalanine B10 in plant nonsymbiotic hemoglobins.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		M53 F54 K69 H73 S76 V77 M80 R103 L104 H108 Y111 V113 H117 F118 V121
Binding residue
(residue number reindexed from 1)		M53 F54 K69 H73 S76 V77 M80 R103 L104 H108 Y111 V113 H117 F118 V121
Annotation score4
Enzymatic activity
Enzyme Commision number 1.7.2.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0019825 oxygen binding
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0010167 response to nitrate
GO:0071731 response to nitric oxide
GO:0080033 response to nitrite
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2gnw, PDBe:2gnw, PDBj:2gnw
PDBsum2gnw
PubMed16893175
UniProtO04986|NSHB1_ORYSJ Anaerobic nitrite reductase NSHB1 (Gene Name=NSHB1)

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