Structure of PDB 1hro Chain A Binding Site BS01

Receptor Information
>1hro Chain A (length=105) Species: 1071 (Rhodopila globiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAPPGDPVEGKHLFHTICITCHTDIKGANKVGPSLYGVVGRHSGIEPGYN
YSEANIKSGIVWTPDVLFKYIEHPQKIVPGTKMGYPGQPDPQKRADIIAY
LETLK
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 chain1hro Chain A Residue 107 [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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PDB1hro Molecular structure of a high potential cytochrome c2 isolated from Rhodopila globiformis.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		I18 C19 C22 H23 P34 L36 S44 Y50 Y52 S53 N56 W63 Y71 T82 K83 M84
Binding residue
(residue number reindexed from 1)		I17 C18 C21 H22 P33 L35 S43 Y49 Y51 S52 N55 W62 Y70 T81 K82 M83
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0015979 photosynthesis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1hro, PDBe:1hro, PDBj:1hro
PDBsum1hro
PubMed8809072
UniProtP00080|CYC2_RHOGL Cytochrome c2

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