Structure of PDB 4h44 Chain C Binding Site BS02

Receptor Information

>4h44 Chain C (length=289) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

YPFWAQQTYPETPREPTGRIVCANCHLAAKPTEVEVPQSVLPDTVFKAVV
KIPYDTSVQQVGADGSKVGLNVGAVLMLPEGFKIAPEDRIPEELKEEIGD
VYFQPYGEDKDNIVIVGPLPGEQYQEIVFPVLSPNPANDKNIHFGKYSVH
VGGNRGRGQVYPTGEKSNNNLYSAAATGTISKIAKQEGEDGSVKYLVDIK
TESGEVVSDTIPAGPELIVSEGQAVTAGDALTNNPNVGGFGQLDAEIVLQ
DANRVGWLIAFVALVMLAQVMLVLKKKQVEKVQAAEMNF

Ligand information

Ligand ID

HEM

InChI

InChI=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-;

InChIKey

KABFMIBPWCXCRK-RGGAHWMASA-L

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1c2n3c(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 3.385	CC1=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 12.01	C=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

Formula

C34 H32 Fe N4 O4

Name

PROTOPORPHYRIN IX CONTAINING FE;
HEME

PDB chain

4h44 Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4h44 Quinone-dependent proton transfer pathways in the photosynthetic cytochrome b6f complex
Resolution	2.7 Å
Binding residue (original residue number in PDB)	Y1 P2 W4 A5 C22 C25 H26 L70 N71 V72 G73 A74 N154 G156 R157 G158 V160 Y161
Binding residue (residue number reindexed from 1)	Y1 P2 W4 A5 C22 C25 H26 L70 N71 V72 G73 A74 N154 G156 R157 G158 V160 Y161
Annotation score	4

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:0009579	thylakoid
GO:0016020	membrane
GO:0031676	plasma membrane-derived thylakoid membrane
GO:0042651	thylakoid membrane

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Cellular Component

External links

PDB	RCSB:4h44, PDBe:4h44, PDBj:4h44
PDBsum	4h44
PubMed	23440205
UniProt	Q93SW9\|CYF_NOSS1 Cytochrome f (Gene Name=petA)

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