Structure of PDB 8hdd Chain B Binding Site BS01
Receptor Information
>8hdd Chain B (length=121) Species:
292
(Burkholderia cepacia) [
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GKPAEDGLKLRGVALASSGIDPARLYLGNCATCHQMQGKGTPDGYYPSLF
HNSTVGASNPSNLVQVILNGVQRKIGSEDIGMPAFRYDLNDAQIAALTNY
VTAQFGNPAAKVTEQDVAKLR
Ligand information
Ligand ID
HEM
InChI
InChI=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-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(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 3.385
CC1=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 12.01
C=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
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
8hdd Chain B Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
8hdd
X-ray structure of the direct electron transfer-type FAD glucose dehydrogenase catalytic subunit complexed with a hitchhiker protein.
Resolution
3.0 Å
Binding residue
(original residue number in PDB)
C334 C337 H338 Y350 P351 T358 V370 I371 R377 I384 M386 P387
Binding residue
(residue number reindexed from 1)
C30 C33 H34 Y46 P47 T54 V66 I67 R73 I80 M82 P83
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005506
iron ion binding
GO:0009055
electron transfer activity
GO:0016614
oxidoreductase activity, acting on CH-OH group of donors
GO:0020037
heme binding
Cellular Component
GO:0016020
membrane
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Molecular Function
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Cellular Component
External links
PDB
RCSB:8hdd
,
PDBe:8hdd
,
PDBj:8hdd
PDBsum
8hdd
PubMed
36473944
UniProt
Q71JE9
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