Structure of PDB 1b5a Chain A Binding Site BS01
Receptor Information
>1b5a Chain A (length=94) Species:
10116
(Rattus norvegicus) [
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DKDVKYYTLEEIQKHKDSKSTWVILHHKVYDLTKFLEEHPGGEEVLREQA
GGDATENFEDVGHSTDARELSKTYIIGELHPDDRSKIAKPSETL
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
1b5a Chain A Residue 95 [
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Receptor-Ligand Complex Structure
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PDB
1b5a
The origin of differences in the physical properties of the equilibrium forms of cytochrome b5 revealed through high-resolution NMR structures and backbone dynamic analyses.
Resolution
N/A
Binding residue
(original residue number in PDB)
V23 L32 F35 H39 V45 L46 Q49 V61 H63 S64 L70
Binding residue
(residue number reindexed from 1)
V23 L32 F35 H39 V45 L46 Q49 V61 H63 S64 L70
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
H39 G62
Catalytic site (residue number reindexed from 1)
H39 G62
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0020037
heme binding
View graph for
Molecular Function
External links
PDB
RCSB:1b5a
,
PDBe:1b5a
,
PDBj:1b5a
PDBsum
1b5a
PubMed
9622481
UniProt
P00173
|CYB5_RAT Cytochrome b5 (Gene Name=Cyb5a)
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