Structure of PDB 2gnv Chain B Binding Site BS01

Receptor Information
>2gnv Chain B (length=155) Species: 4530 (Oryza sativa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSFSEEQEALVLKSWAILKKDSANIALRFLLKIFEVAPSASQMFSFLRNS
DVPLEKNPKLKTHAMSVFVMTCEAAAQLRKAGKVTVRDTTLKRLGATHLK
YGVGDAHFEVVKFALLDTIKEEVPADMWSPAMKSAWSEAYDHLVAAIKQE
MKPAE
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 chain2gnv Chain B Residue 166 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gnv Role of Phenylalanine B10 in Plant Nonsymbiotic Hemoglobins
Resolution2.3 Å
Binding residue
(original residue number in PDB)		M53 F54 K69 H73 M80 L104 T107 H108 Y111 V113 H117 F118 Y150 L153
Binding residue
(residue number reindexed from 1)		M43 F44 K59 H63 M70 L94 T97 H98 Y101 V103 H107 F108 Y140 L143
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:2gnv, PDBe:2gnv, PDBj:2gnv
PDBsum2gnv
PubMed16893175
UniProtO04986|NSHB1_ORYSJ Anaerobic nitrite reductase NSHB1 (Gene Name=NSHB1)

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