Structure of PDB 1h1o Chain A Binding Site BS02

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 1185 [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)		D15 C16 C19 H20 P33 Y42 L47 Y50 R55 D57 N59 G60 Y63 M64 V67 L79 Y143 Q147
Binding residue
(residue number reindexed from 1)		D4 C5 C8 H9 P22 Y31 L36 Y39 R44 D46 N48 G49 Y52 M53 V56 L68 Y132 Q136
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

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Molecular Function
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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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