Structure of PDB 1ced Chain A Binding Site BS01

Receptor Information
>1ced Chain A (length=89) Species: 34112 (Chlorolobion braunii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EADLALGKAVFDGNCAACHAGGGNNVIPDHTLQKAAIEQFLDGGFNIEAI
VYQIENGKGAMPAWDGRLDEDEIAGVAAYVYDQAAGNKW
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 chain1ced Chain A Residue 90 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ced Cytochrome C6 from Monoraphidium Braunii. A Cytochrome with an Unusual Heme Axial Coordination
ResolutionN/A
Binding residue
(original residue number in PDB)		C15 C18 H19 N24 V26 H30 L32 I37 L41 Q53 I54 K58 M61 P62 W64
Binding residue
(residue number reindexed from 1)		C15 C18 H19 N24 V26 H30 L32 I37 L41 Q53 I54 K58 M61 P62 W64
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
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0009507 chloroplast
GO:0009543 chloroplast thylakoid lumen
GO:0009579 thylakoid

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ced, PDBe:1ced, PDBj:1ced
PDBsum1ced
PubMed
UniProtQ09099|CYC6_CHLBR Cytochrome c6 (Gene Name=petJ)

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