Structure of PDB 6qyc Chain C Binding Site BS06

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 803 [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)		R190 I192 A221 F235 V239 H240 H243 C254 C257 H258 N269 W270 T278
Binding residue
(residue number reindexed from 1)		R144 I146 A175 F189 V193 H194 H197 C208 C211 H212 N223 W224 T232
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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