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Receptor Information

>7wsq 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

7wsq Chain F Residue 502 [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	7wsq Structural and Bioelectrochemical Elucidation of Direct Electron Transfer-type Membrane-bound Fructose Dehydrogenase
Resolution	3.8 Å
Binding residue (original residue number in PDB)	C201 C204 H205 A230 P231 I233 I241 Y252 L253 P266 M267 T366 D375
Binding residue (residue number reindexed from 1)	C162 C165 H166 A191 P192 I194 I202 Y213 L214 P227 M228 T313 D322
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:7wsq, PDBe:7wsq, PDBj:7wsq
PDBsum	7wsq
PubMed
UniProt	M1V1V5\|FDHC_GLUJA Fructose dehydrogenase cytochrome subunit (Gene Name=fdhC)

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Structure of PDB 7wsq Chain F Binding Site BS02