Structure of PDB 6qyc Chain B Binding Site BS05

Receptor Information
>6qyc Chain B (length=608) Species: 402882 (Shewanella baltica OS185) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APAIQILNFTFDKSVITNGVPSVEFTVTNENDLPVVGLQKMRFAAAQLIP
QGATGAGNASQWQYFGDETCDVAATCPGTFVDQKNGHYSYTFNMNLTANA
KITYNDQLAQRVLIRAYNTPLPDGTQVPNSNAFVDFTADTGAAPTYSRKI
VATESCNTCHQDLANVKHGGAYSDVNYCATCHTAGKVGVGKEFNVLVHAK
HKDLTLGSLESCQSCHAANDAAPDWGNWSRIPTAATCGSCHSTVDFAAGK
GHSQQLDNSNCIACHNSDWTAELHTGKTADKKAVIAQLGMQATLVGQTDD
TAVLTVSILDKDGNAIDAATVQDKIKRLETVTNVGPNFPIMGYNKSPGSG
AAKIAKDLVKDGALQAGVTLVDGKLVFTTPALPFGTGDTDTAFTFIGLEM
CSTGTSLTACTVDSATTSMKAELAFGTKSGNAPSMRHVNSVNFSTCQGCH
SDTFEIHKGHHSGFVMTEQVSHAKDANGKAIVGVDGCVACHTPDGTYASG
ANKGAFEMKLHVIHGEQGVIKECTQCHNDFNLDAFKVKGALATSAGKYTT
PITATCTSCHAPESIGHGLENMGAIVNGDYVQANQAAQSETCFYCHKPTP
TDHTQVKM
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 B Residue 803 [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)		R190 I192 F235 V239 H240 H243 C254 C257 H258 N269 W270 I273 T278 H316
Binding residue
(residue number reindexed from 1)		R148 I150 F193 V197 H198 H201 C212 C215 H216 N227 W228 I231 T236 H274
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]