Structure of PDB 6qyc Chain A Binding Site BS06

Receptor Information
>6qyc Chain A (length=605) Species: 402882 (Shewanella baltica OS185) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IQILNFTFDKSVITNGVPSVEFTVTNENDLPVVGLQKMRFAAAQLIPQGA
TGAGNASQWQYFGDETCDVAATCPGTFVDQKNGHYSYTFNMNLTANAKIT
YNDQLAQRVLIRAYNTPLPDGTQVPNSNAFVDFTADTGAAPTYSRKIVAT
ESCNTCHQDLANVKHGGAYSDVNYCATCHTAGKVGVGKEFNVLVHAKHKD
LTLGSLESCQSCHAANDAAPDWGNWSRIPTAATCGSCHSTVDFAAGKGHS
QQLDNSNCIACHNSDWTAELHTGKTADKKAVIAQLGMQATLVGQTDDTAV
LTVSILDKDGNAIDAATVQDKIKRLETVTNVGPNFPIMGYNKSPGSGAAK
IAKDLVKDGALQAGVTLVDGKLVFTTPALPFGTGDTDTAFTFIGLEMCST
GTSLTACTVDSATTSMKAELAFGTKSGNAPSMRHVNSVNFSTCQGCHSDT
FEIHKGHHSGFVMTEQVSHAKDANGKAIVGVDGCVACHTPDGTYASGANK
GAFEMKLHVIHGEQGVIKECTQCHNDFNLDAFKVKGALATSAGKYTTPIT
ATCTSCHAPESIGHGLENMGAIVNGDYVQANQAAQSETCFYCHKPTPTDH
TQVKM
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 A Residue 806 [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)		T247 L248 C488 C491 H492 F496 L552 H556 Q559 V561 I562 Q567 C568
Binding residue
(residue number reindexed from 1)		T202 L203 C443 C446 H447 F451 L507 H511 Q514 V516 I517 Q522 C523
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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