Structure of PDB 1awp Chain A Binding Site BS01

Receptor Information
>1awp Chain A (length=86) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPAVTYYRLEEVAKRNTAEETWMVIHGRVYDITRFLSEHPGGEELLLEQA
GADATESFEDLGHSPDAREMLKQYYIGDVHPNDLKP
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 chain1awp Chain A 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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PDB1awp The reduction potential of cytochrome b5 is modulated by its exposed heme edge.
Resolution2.0 Å
Binding residue
(original residue number in PDB)
M23 F35 H39 P40 G41 L45 L46 F58 L61 H63 S64
Binding residue
(residue number reindexed from 1)
M23 F35 H39 P40 G41 L45 L46 F58 L61 H63 S64
Annotation score4
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

View graph for
Molecular Function
External links
PDB RCSB:1awp, PDBe:1awp, PDBj:1awp
PDBsum1awp
PubMed9484218
UniProtP04166|CYB5B_RAT Cytochrome b5 type B (Gene Name=Cyb5b)

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