Structure of PDB 6h5l Chain B Binding Site BS02

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 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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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)		Y52 C53 C56 H57 P73 P75 R76 F78 Y83 K84 F85 I103 V107 S110 T111 M112 W115 K209
Binding residue
(residue number reindexed from 1)		Y18 C19 C22 H23 P39 P41 R42 F44 Y49 K50 F51 I69 V73 S76 T77 M78 W81 K175
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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