Structure of PDB 8jek Chain C Binding Site BS03

Receptor Information
>8jek Chain C (length=413) 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
LRSVPAKAESGQTVANFEHAGRPSSYSVANANSRRSNSTLTKTTDGAALY
EAVCASCHQSDGKGSKDGYYPSLVGNTTTGQLNPNDLIASILYGVDRTTD
NHEILMPAFGPDSLVQPLTDEQIATIADYVLSHFGNAQATVSADAVKQVR
AGGKQVPLAKLAS
Ligand information
Ligand IDHEC
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,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-;
InChIKeyHXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=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 1.5.0CC=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 3.341C\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 3.341CC=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
FormulaC34 H34 Fe N4 O4
NameHEME C
ChEMBL
DrugBank
ZINC
PDB chain8jek Chain C Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8jek Essential Insight of Direct Electron Transfer-Type Bioelectrocatalysis by Membrane-Bound d-Fructose Dehydrogenase with Structural Bioelectrochemistry.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C52 C55 H56 I71 S80 T81 I83 F99 L103 R108 L114 Y115 M118 Y123 R161
Binding residue
(residue number reindexed from 1)		C13 C16 H17 I32 S41 T42 I44 F60 L64 R69 L75 Y76 M79 Y84 R122
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8jek, PDBe:8jek, PDBj:8jek
PDBsum8jek
PubMed
UniProtM1V1V5|FDHC_GLUJA Fructose dehydrogenase cytochrome subunit (Gene Name=fdhC)

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