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Structure of PDB 2j7a Chain D Binding Site BS02

Receptor Information >2j7a Chain D (length=494) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] GCSDVSTELKTPVYKTKLTAEEIRNSAFKPEFPKQYASYERNDETTVMTE YKGSVPFNKNDNVNPLPEGYRHAQPYLKNLWLGYPFMYEYREARGHTYAI QDFLHIDRINRYAEKGGLPATCWNCKTPKMMEWVKESGDGFWAKDVNEFR DKIDMKDHTIGCATCHDPQTMELRITSVPLTDYLVSQGKDPKKLPRNEMR ALVCGQCHVEYYFNGPTMGVNKKPVFPWAEGFDPADMYRYYDKHGDLQVK GFEGKFADWTHPASKTPMIKAQHPEYETWINGTHGAAGVTCADCHMSYTR SDDKKKISSHWWTSPMKDPEMRACRQCHSDKTPDYLKSRVLFTQKRTFDL LLAAQEVSVKAHEAVRLANEYQGAKAAGYDDLMIQAREMVRKGQFFWDYV SAENSVGFHNPAKALDTLAQSQQFSQKAIDLAMEATQYGIGKDLSGDIKT IVPPILKMNRKLQQDPEFMKTHKWFQYLPVLPKADQVWDGQKRL

Ligand information Ligand ID HEC InChI InChI=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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-; InChIKey HXQIYSLZKNYNMH-LJNAALQVSA-N SMILES Software SMILES ACDLabs 10.04 O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C OpenEye OEToolkits 1.5.0 CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C CACTVS 3.341 C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C CACTVS 3.341 CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C Formula C34 H34 Fe N4 O4 Name HEME C ChEMBL DrugBank ZINC PDB chain 2j7a Chain D Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 2j7a X-Ray Structure of the Membrane-Bound Cytochrome C Quinol Dehydrogenase Nrfh Reveals Novel Haem Coordination. Resolution 2.3 Å Binding residue (original residue number in PDB) Y39 F57 Q60 Y61 Y64 G186 C187 C190 H191 M196 L198 R225 M321 I332 S333 H335 W337 Binding residue (residue number reindexed from 1) Y14 F32 Q35 Y36 Y39 G161 C162 C165 H166 M171 L173 R200 M296 I307 S308 H310 W312 Annotation score 1

Enzymatic activity Enzyme Commision number 1.7.2.2: nitrite reductase (cytochrome; ammonia-forming).

Gene Ontology Molecular Function GO:0016491 oxidoreductase activity GO:0020037 heme binding GO:0042279 nitrite reductase (cytochrome, ammonia-forming) activity GO:0046872 metal ion binding

	Biological Process
GO:0019645	anaerobic electron transport chain

	Cellular Component
GO:0005886	plasma membrane
GO:0030288	outer membrane-bounded periplasmic space
GO:0042597	periplasmic space

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