Structure of PDB 6qyc Chain A Binding Site BS02

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 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6qyc The Crystal Structure of a Biological Insulated Transmembrane Molecular Wire.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		K209 H210 Y214 Y219 C220 C223 H224 V229 K233 L238
Binding residue
(residue number reindexed from 1)		K164 H165 Y169 Y174 C175 C178 H179 V184 K188 L193
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)

[Back to BioLiP]