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Receptor Information

>7w2j Chain F (length=418) Species: 376620 (Gluconobacter japonicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ISRGHYLAIAADCAACHTNGRDGQFLAGGYAISSPMGNIYSTNITPSKTH
GIGNYTLEQFSKALRHGIRADGAQLYPAMPYDAYNRLTDEDVKSLYAYIM
TEVKPVDAPSPKTQLPFPFSIRASLGIWKIAARIEGKPYVFDHTHNDDWN
RGRYLVDELAHCGECHTPRNFLLAPNQSAYLAGADIGSWRAPNITNAPQS
GIGSWSDQDLFQYLKTGKTAHARAAGPMAEAIEHSLQYLPDADISAIVTY
LRSVPAKAESGQTVANFEHAGRPSSYSVTTDGAALYEAVCASCHQSDGKG
SKDGYYPSLVGNTTTGQLNPNDLIASILYGVDRTTDNHEILMPAFGPDSL
VQPLTDEQIATIADYVLSHFGNAQATVSADAVKQVRAGGKQVPLAKLASP
GVMLLLGTGGILGAILVV

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

7w2j Chain F Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7w2j Structural and Bioelectrochemical Elucidation of Direct Electron Transfer-type Membrane-bound Fructose Dehydrogenase
Resolution	3.6 Å
Binding residue (original residue number in PDB)	C52 C55 H56 T81 I83 Y94 L114 Y115 A117 M118 R161
Binding residue (residue number reindexed from 1)	C13 C16 H17 T42 I44 Y55 L75 Y76 A78 M79 R122
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0005506	iron ion binding
GO:0009055	electron transfer activity
GO:0016614	oxidoreductase activity, acting on CH-OH group of donors
GO:0020037	heme binding

	Cellular Component
GO:0016020	membrane

PDB	RCSB:7w2j, PDBe:7w2j, PDBj:7w2j
PDBsum	7w2j
PubMed
UniProt	M1V1V5\|FDHC_GLUJA Fructose dehydrogenase cytochrome subunit (Gene Name=fdhC)

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Structure of PDB 7w2j Chain F Binding Site BS03