Structure of PDB 8js7 Chain F Binding Site BS01

Receptor Information
>8js7 Chain F (length=249) Species: 224911 (Bradyrhizobium diazoefficiens USDA 110) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVGTWDLDLKTWALDWSDTARTLLGIGQDQPASYDLFLSRLEPDDRERVE
SAIKRVSERGGGFDVSFRVAGTSNAGQWIRARAGLIRDEAGTARHLSGIF
LDIDEEKQVEGALRTRETHLRSILHTIPDAMIVIDGHGIIQLFSTAAERL
FGWSELEAIGQNVNILMPEPDRSRHDSYISRYRTTSDPHIIGIGRIVTGK
RRDGTTFPMHLSIGEMQSGGEPYFTGFVRDLTEHQQTQARLQELQSELV
Ligand information
Ligand IDHEM
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,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain8js7 Chain F Residue 302 [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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PDB8js7 Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system.
Resolution2.85 Å
Binding residue
(original residue number in PDB)
I159 M192 H200 Y203 Y207 I215 R220 V222 M234 L236 I238 F249 G251
Binding residue
(residue number reindexed from 1)
I134 M167 H175 Y178 Y182 I190 R195 V197 M209 L211 I213 F224 G226
Annotation score4
External links
PDB RCSB:8js7, PDBe:8js7, PDBj:8js7
PDBsum8js7
PubMed
UniProtP23222|FIXL_BRADU Sensor protein FixL (Gene Name=fixL)

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