Structure of PDB 1tu2 Chain B Binding Site BS01

Receptor Information
>1tu2 Chain B (length=254) Species: 1168 (Nostoc sp. PCC 7119) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPFWAQQTYPETPREPTGRIVCANCHLAAKPTEVEVPQSVLPDTVFKAVV
KIPYDTSVQQVGADGSKVGLNVGAVLMLPEGFKIAPEDRIPEELKEEIGD
VYFQPYGEDKDNIVIVGPLPGEQYQEIVFPVLSPNPANDKNIHFGKYSVH
VGGNRGRGQVYPTGEKSNNNLYSAAATGTISKIAKQEGEDGSVKYLVDIK
TESGEVVSDTIPAGPELIVSEGQAVTAGDALTNNPNVGGFGQLDAEIVLQ
DANR
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 chain1tu2 Chain B Residue 255 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1tu2 Structure of the complex between plastocyanin and cytochrome f from the cyanobacterium Nostoc sp. PCC 7119 as determined by paramagnetic NMR. The balance between electrostatic and hydrophobic interactions within the transient complex determines the relative orientation of the two proteins.
ResolutionN/A
Binding residue
(original residue number in PDB)		Y1 P2 W4 C22 C25 H26 Q60 N71 V72 G73 A74 V75 N154 G156 R157 G158 V160 Y161
Binding residue
(residue number reindexed from 1)		Y1 P2 W4 C22 C25 H26 Q60 N71 V72 G73 A74 V75 N154 G156 R157 G158 V160 Y161
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1tu2, PDBe:1tu2, PDBj:1tu2
PDBsum1tu2
PubMed15705583
UniProtQ93SW9|CYF_NOSS1 Cytochrome f (Gene Name=petA)

[Back to BioLiP]