Structure of PDB 6qyc Chain C Binding Site BS08

Receptor Information
>6qyc Chain C (length=604) Species: 402882 (Shewanella baltica OS185) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QILNFTFDKSVITNGVPSVEFTVTNENDLPVVGLQKMRFAAAQLIPQGAT
GAGNASQWQYFGDETCDVAATCPGTFVDQKNGHYSYTFNMNLTANAKITY
NDQLAQRVLIRAYNTPLPDGTQVPNSNAFVDFTADTGAAPTYSRKIVATE
SCNTCHQDLANVKHGGAYSDVNYCATCHTAGKVGVGKEFNVLVHAKHKDL
TLGSLESCQSCHAANDAAPDWGNWSRIPTAATCGSCHSTVDFAAGKGHSQ
QLDNSNCIACHNSDWTAELHTGKTADKKAVIAQLGMQATLVGQTDDTAVL
TVSILDKDGNAIDAATVQDKIKRLETVTNVGPNFPIMGYNKSPGSGAAKI
AKDLVKDGALQAGVTLVDGKLVFTTPALPFGTGDTDTAFTFIGLEMCSTG
TSLTACTVDSATTSMKAELAFGTKSGNAPSMRHVNSVNFSTCQGCHSDTF
EIHKGHHSGFVMTEQVSHAKDANGKAIVGVDGCVACHTPDGTYASGANKG
AFEMKLHVIHGEQGVIKECTQCHNDFNLDAFKVKGALATSAGKYTTPITA
TCTSCHAPESIGHGLENMGAIVNGDYVQANQAAQSETCFYCHKPTPTDHT
QVKM
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 chain6qyc Chain C Residue 805 [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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PDB6qyc The Crystal Structure of a Biological Insulated Transmembrane Molecular Wire.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		T275 A276 H283 F288 H294 Q297 N302 C303 C306 H307 W311
Binding residue
(residue number reindexed from 1)		T229 A230 H237 F242 H248 Q251 N256 C257 C260 H261 W265
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:6qyc, PDBe:6qyc, PDBj:6qyc
PDBsum6qyc
PubMed32289252
UniProtP0DSN4|MTRC_SHEB8 Multiheme cytochrome MtrC (Gene Name=mtrC)

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