Structure of PDB 6e1c Chain B Binding Site BS02

Receptor Information
>6e1c Chain B (length=323) Species: 595536 (Methylosinus trichosporium OB3b) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWNWDLPKYIPPPRVPVDNPMSEEKFQLGRRLFYDKRLSGNGTLSCSSCH
LQERAFTDGRTVSIGSTGAKTPRNAPSIAYSGWHGTLTWANPALVTLERQ
MLNPLFGADPIEMGASDANKAEISFATIIAAISAFQRGVYSFDSRYDHYL
QGEAQLTEAEQRGHDLYFGEKAECHHCHGSVGLDDQFVHARTREPELPFH
NTGLYDIDGAYPAPNHGLFDITGDPDDMGKFRAPSLRNIALTAPYMHDGS
VATLEEVIDIYSEGGRKIASGPHAGDGRASALKSGLIVKIDLTAQEKADL
LAFLKTLTDESLIASPRFSDPWR
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 chain6e1c Chain B Residue 402 [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]
PDB6e1c MbnH is a diheme MauG-like protein associated with microbial copper homeostasis.
Resolution2.617 Å
Binding residue
(original residue number in PDB)		W113 A221 C223 C226 H227 H249 L253 F282 R283 A284 P285 L287 I290 Y296 M297 H298 V308 Y312 L337
Binding residue
(residue number reindexed from 1)		W89 A172 C174 C177 H178 H200 L204 F231 R232 A233 P234 L236 I239 Y245 M246 H247 V257 Y261 L286
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding

View graph for
Molecular Function
External links
PDB RCSB:6e1c, PDBe:6e1c, PDBj:6e1c
PDBsum6e1c
PubMed31511324
UniProtA0A2D2CY72

[Back to BioLiP]