Structure of PDB 1fft Chain F Binding Site BS02

Receptor Information

>1fft Chain F (length=501) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VDHKRLGIMYIIVAIVMLLRGFADAIMMRSQQALASAGEAGFLPPHHYDQ
IFTAHGVIMIFFVAMPFVIGLMNLVVPLQIGARDVAFPFLNNLSFWFTVV
GVILVNVSLGVGEFAQTGWLAYPPLSGIEYSPGVGVDYWIWSLQLSGIGT
TLTGINFFVTILKMRAPGMTMFKMPVFTWASLCANVLIIASFPILTVTVA
LLTLDRYLGTHFFTNDMGGNMMMYINLIWAWGHPEVYILILPVFGVFSEI
AATFSRKRLFGYTSLVWATVCITVLSFIVWLHHFFTMGAGANVNAFFGIT
TMIIAIPTGVKIFNWLFTMYQGRIVFHSAMLWTIGFIVTFSVGGMTGVLL
AVPGADFVLHNSLFLIAHFHNVIIGGVVFGCFAGMTYWWPKAFGFKLNET
WGKRAFWFWIIGFFVAFMPLYALGFMGMTRRLSQQIDPQFHTMLMIAASG
AVLIALGILCLVIQMYVSIRDRDQNRDLTGDPWGGRTLEWATSSPPPFYN
F

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

1fft Chain F Residue 1001 [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	1fft The structure of the ubiquinol oxidase from Escherichia coli and its ubiquinone binding site.
Resolution	3.5 Å
Binding residue (original residue number in PDB)	F103 T104 H106 G107 M110 I111 G169 W170 I417 H421 I424 F468 R481 R482
Binding residue (residue number reindexed from 1)	F52 T53 H55 G56 M59 I60 G118 W119 I366 H370 I373 F417 R430 R431
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	Y61 R71 D75 M79 F103 H106 N124 D135 N142 S145 T149 W170 G200 T201 T204 T211 H284 E286 Y288 S299 S315 T359 K362 H419 F420 H421
Catalytic site (residue number reindexed from 1)	Y10 R20 D24 M28 F52 H55 N73 D84 N91 S94 T98 W119 G149 T150 T153 T160 H233 E235 Y237 S248 S264 T308 K311 H368 F369 H370
Enzyme Commision number	7.1.1.3: ubiquinol oxidase (H(+)-transporting).

Gene Ontology

	Molecular Function
GO:0004129	cytochrome-c oxidase activity
GO:0005507	copper ion binding
GO:0005515	protein binding
GO:0009055	electron transfer activity
GO:0009486	cytochrome bo3 ubiquinol oxidase activity
GO:0015078	proton transmembrane transporter activity
GO:0015453	oxidoreduction-driven active transmembrane transporter activity
GO:0016682	oxidoreductase activity, acting on diphenols and related substances as donors, oxygen as acceptor
GO:0020037	heme binding
GO:0046872	metal ion binding
GO:0048039	ubiquinone binding

	Biological Process
GO:0009060	aerobic respiration
GO:0015990	electron transport coupled proton transport
GO:0019646	aerobic electron transport chain
GO:0022904	respiratory electron transport chain
GO:1902600	proton transmembrane transport

	Cellular Component
GO:0005886	plasma membrane
GO:0009319	cytochrome o ubiquinol oxidase complex
GO:0016020	membrane

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:1fft, PDBe:1fft, PDBj:1fft
PDBsum	1fft
PubMed	11017202
UniProt	P0ABI8\|CYOB_ECOLI Cytochrome bo(3) ubiquinol oxidase subunit 1 (Gene Name=cyoB)

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