Structure of PDB 1e2w Chain A Binding Site BS01

Receptor Information
>1e2w Chain A (length=251) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPVFAQQNYANPREANGRIVCANCHLAQKAVEIEVPQAVLPDTVFEAVIE
LPYDKQVKQVLANGKKGDLNVGMVLILPEGFELAPPDRVPAEIKEKVGNL
YYQPYSPEQKNILVVGPVPGKKYSEMVVPILSPDPAKNKNVSYLKYPIYF
GGNRGRGQVYPDGKKSNFTIYNASAAGKIVAITALSEKKGGFEVSIEKAN
GEVVVDKIPAGPDLIVKEGQTVQADQPLTNNPNVGGFGQAETEIVLQNPA
R
Ligand information
Ligand IDHEC
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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
InChIKeyHXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
OpenEye OEToolkits 1.5.0CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
CACTVS 3.341C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
CACTVS 3.341CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
FormulaC34 H34 Fe N4 O4
NameHEME C
ChEMBL
DrugBank
ZINC
PDB chain1e2w Chain A Residue 900 [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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PDB1e2w Interruption of the Internal Water Chain of Cytochrome F Impairs Photosynthetic Function
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y1 P2 F4 C21 C24 H25 Q59 N70 V71 G72 M73 N153 G155 R156 G157 V159 Y160 P161
Binding residue
(residue number reindexed from 1)		Y1 P2 F4 C21 C24 H25 Q59 N70 V71 G72 M73 N153 G155 R156 G157 V159 Y160 P161
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
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0042651 thylakoid membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1e2w, PDBe:1e2w, PDBj:1e2w
PDBsum1e2w
PubMed10924110
UniProtP23577|CYF_CHLRE Cytochrome f (Gene Name=petA)

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