Structure of PDB 4i7z Chain C Binding Site BS03

Receptor Information

>4i7z Chain C (length=288) Species: 83541 (Mastigocladus laminosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

YPFWAQQTYPPTPREPTGRIVCANCHLAAKPAEVEVPQSVLPDTVFKAVV
KIPYDTKLQQVAADGSKVGLNVGAVLMLPEGFKIAPEERIPEELKKEVGD
VYFQPYKEGQDNVLLVGPLPGEQYQEIVFPVLSPNPTTDKNIHFGKYAIH
LGANRGRGQIYPTGEKSNNNVFTASATGTITKIAKEEDEYGNVKYQVSIQ
TDSGKTVVDTIPAGPELIVSEGQAVKAGEALTNNPNVGGFGQDDTEIVLQ
DPNRVKWMIAFICLVMLAQLMLILKKKQVEKVQAAEMN

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

4i7z 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	4i7z Lipid-induced conformational changes within the cytochrome b6f complex of oxygenic photosynthesis.
Resolution	2.803 Å
Binding residue (original residue number in PDB)	Y1 P2 W4 A5 C22 C25 H26 L70 N71 V72 G73 A74 N154 G156 R157 G158 I160 Y161
Binding residue (residue number reindexed from 1)	Y1 P2 W4 A5 C22 C25 H26 L70 N71 V72 G73 A74 N154 G156 R157 G158 I160 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:4i7z, PDBe:4i7z, PDBj:4i7z
PDBsum	4i7z
PubMed	23514009
UniProt	P83793\|CYF_MASLA Cytochrome f (Gene Name=petA)

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