Structure of PDB 8k6j Chain C Binding Site BS02

Receptor Information
>8k6j 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 chain8k6j Chain C Residue 502 [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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PDB8k6j Structural and electrochemical elucidation of biocatalytic mechanisms in direct electron transfer-type D-fructose dehydrogenase.
Resolution2.77 Å
Binding residue
(original residue number in PDB)		C201 C204 H205 I225 W228 A230 P231 I233 Y252 P266 M267 T366 D375
Binding residue
(residue number reindexed from 1)		C162 C165 H166 I186 W189 A191 P192 I194 Y213 P227 M228 T327 D336
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8k6j, PDBe:8k6j, PDBj:8k6j
PDBsum8k6j
PubMed
UniProtM1V1V5|FDHC_GLUJA Fructose dehydrogenase cytochrome subunit (Gene Name=fdhC)

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