Structure of PDB 6h5l Chain B Binding Site BS01

Receptor Information
>6h5l Chain B (length=220) Species: 174633 (Candidatus Kuenenia stuttgartiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEIPKEVTEEGKNVYKKYCAPCHGEEGGGDGLLSRSMLPKPRNFTLGAYK
FRTTPSGSLPTDEDIYRTISYGVPNSTMIPWDILTEEQRASVVPVLKSFS
EAFEYREPEPSVDVGLPLRPTERTILAGKKIYEEKLECWKCHGVEGRGDG
PSASEQEDDFGFPIKPFDFTTGKFKGGNSPTDVYLRFTTGLNGTPMPSFA
KELSDDERWYLTHYVMSLVQ
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 chain6h5l Chain B Residue 301 [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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PDB6h5l A 60-heme reductase complex from an anammox bacterium shows an extended electron transfer pathway.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		C172 C175 H176 I198 F201 F208 K209 G210 R220 F221 P229 M230 F233 L245
Binding residue
(residue number reindexed from 1)		C138 C141 H142 I164 F167 F174 K175 G176 R186 F187 P195 M196 F199 L211
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Cellular Component
GO:0044222 anammoxosome

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6h5l, PDBe:6h5l, PDBj:6h5l
PDBsum6h5l
PubMed30950404
UniProtQ1PVE1

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