Structure of PDB 1b5m Chain A Binding Site BS01
Receptor Information
>1b5m Chain A (length=84) Species:
10116
(Rattus norvegicus) [
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AVTYYRLEEVAKRNTAEETWMVIHGRVYDITRFLSEHPGGEEVLLEQAGA
DATESFEDVGHSPDAREMLKQYYIGDVHPNDLKP
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
1b5m Chain A Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
1b5m
13C NMR spectroscopic and X-ray crystallographic study of the role played by mitochondrial cytochrome b5 heme propionates in the electrostatic binding to cytochrome c.
Resolution
2.7 Å
Binding residue
(original residue number in PDB)
M23 F35 H39 P40 G41 V45 L46 F58 V61 H63 S64 A67 L71
Binding residue
(residue number reindexed from 1)
M21 F33 H37 P38 G39 V43 L44 F56 V59 H61 S62 A65 L69
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
H39 G62
Catalytic site (residue number reindexed from 1)
H37 G60
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0020037
heme binding
View graph for
Molecular Function
External links
PDB
RCSB:1b5m
,
PDBe:1b5m
,
PDBj:1b5m
PDBsum
1b5m
PubMed
8973214
UniProt
P04166
|CYB5B_RAT Cytochrome b5 type B (Gene Name=Cyb5b)
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