Structure of PDB 1lj0 Chain D Binding Site BS01

Receptor Information
>1lj0 Chain D (length=86) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAVTYYRLEEVAKRNTSEETWMVLHGRVYDLTRFLSEHPGGEEVLREQAG
ADATESFEDVGHSPDAREMSKQYYIGDVHPNDLKPK
Ligand information
Ligand IDHEM
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,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-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(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 3.385CC1=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 12.01C=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
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain1lj0 Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1lj0 Toward engineering the stability and hemin binding properties of microsomal cytochromes b5 into rat outer mitochondrial cytochrome b5: Examining the influence of residues 25 and 71.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		L32 F35 H39 P40 G41 V45 L46 F58 V61 H63 S64 A67 M70
Binding residue
(residue number reindexed from 1)		L31 F34 H38 P39 G40 V44 L45 F57 V60 H62 S63 A66 M69
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:1lj0, PDBe:1lj0, PDBj:1lj0
PDBsum1lj0
PubMed12269800
UniProtP04166|CYB5B_RAT Cytochrome b5 type B (Gene Name=Cyb5b)

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