Structure of PDB 1h1o Chain A Binding Site BS01

Receptor Information
>1h1o Chain A (length=172) Species: 920 (Acidithiobacillus ferrooxidans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSSDCMVCHGMTGRDTLYPIVPRLAGQHKSYMEAQLKAYKDHSRADQNGE
IYMWPVAQALDSAKITALADYFNAQKPPMQSSGIKHAGAKEGKAIFNQGV
TNEQIPACMECHGSDGQGAGPFPRLAGQRYGYIIQQLTYFHNGTRVNTLM
NQIAKNITVAQMKDVAAYLSSL
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 chain1h1o Chain A Residue 1184 [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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PDB1h1o The Structure of Acidithiobacillus Ferrooxidans C(4)-Cytochrome. A Model for Complex-Induced Electron Transfer Tuning
Resolution2.13 Å
Binding residue
(original residue number in PDB)		Y42 Q46 P117 C119 C122 H123 F133 P134 L136 Y143 F151 R156 N158 L160 M161 I164
Binding residue
(residue number reindexed from 1)		Y31 Q35 P106 C108 C111 H112 F122 P123 L125 Y132 F140 R145 N147 L149 M150 I153
Annotation score4
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:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1h1o, PDBe:1h1o, PDBj:1h1o
PDBsum1h1o
PubMed12737820
UniProtP74917|CY552_ACIFI Cytochrome c-552 (Gene Name=cyc1)

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