Structure of PDB 2zbo Chain C Binding Site BS01
Receptor Information
>2zbo Chain C (length=86) [
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ADINHGENVFTANCSACHAGGNNVIMPEKTLQKDALSTNQMNSVGAITYQ
VTNGKNAMPAFGGRLSDDDIEDVASFVLSQSEKSWN
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
2zbo Chain C Residue 111 [
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Receptor-Ligand Complex Structure
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PDB
2zbo
Cloning, expression and purification of cytochrome c(6) from the brown alga Hizikia fusiformis and complete X-ray diffraction analysis of the structure
Resolution
1.6 Å
Binding residue
(original residue number in PDB)
N37 C38 C41 H42 N47 K53 T54 L55 A59 L60 N63 Q74 V75 N80 M82 F85
Binding residue
(residue number reindexed from 1)
N13 C14 C17 H18 N23 K29 T30 L31 A35 L36 N39 Q50 V51 N56 M58 F61
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005506
iron ion binding
GO:0009055
electron transfer activity
GO:0020037
heme binding
GO:0046872
metal ion binding
Cellular Component
GO:0009543
chloroplast thylakoid lumen
GO:0009579
thylakoid
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Molecular Function
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Cellular Component
External links
PDB
RCSB:2zbo
,
PDBe:2zbo
,
PDBj:2zbo
PDBsum
2zbo
PubMed
18678931
UniProt
Q76FN8
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