Structure of PDB 2jxm Chain B Binding Site BS01

Receptor Information
>2jxm Chain B (length=249) Species: 1223 (Prochlorothrix hollandica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPFYAQYNYDSPREATGKIVCANCHLAKKTVEIEVPQAVLPDTVFKAVVK
VPYDLDIQQVQADGSPSGLNVGAVLMLPEGFKLAPPERVDEELMEEVGDF
YYLVTPYSETDENILLAGPLPGEDYQEMIFPILSPNPATDAGVYFGKYSI
HLGGNRGRGQVYPTGELSNNNAFSASIAGTIAAIEDNGFGFDVTIQPEDG
DAVVTSILPGPELIVAVGDTVEAGQLLTTNPNVGGFGQMDSEIVLQSSS
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 chain2jxm Chain B Residue 250 [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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PDB2jxm Dynamics in the transient complex of plastocyanin-cytochrome f from Prochlorothrix hollandica.
ResolutionN/A
Binding residue
(original residue number in PDB)		Y1 C21 C24 H25 L69 N70 V71 G72 P119 G157 R158 G159 V161 P163
Binding residue
(residue number reindexed from 1)		Y1 C21 C24 H25 L69 N70 V71 G72 P119 G157 R158 G159 V161 P163
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:2jxm, PDBe:2jxm, PDBj:2jxm
PDBsum2jxm
PubMed18201089
UniProtQ8RN59

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