Structure of PDB 1ag9 Chain A Binding Site BS03

Receptor Information

>1ag9 Chain A (length=175) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AITGIFFGSDTGNTENIAKMIQKQLGKDVADVHDIAKSSKEDLEAYDILL
LGIPTWYYGEAQCDWDDFFPTLEEIDFNGKLVALFGCGDQEDYAEYFCDA
LGTIRDIIEPRGATIVGHWPTAGYHFEASKGLADDDHFVGLAIDEDRQPE
LTAERVEKWVKQISEELHLDEILNA

Ligand information

Ligand ID

BTB

InChI

InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2

InChIKey

OWMVSZAMULFTJU-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CO)N(CCO)C(CO)(CO)CO
ACDLabs 10.04	OCCN(C(CO)(CO)CO)CCO
CACTVS 3.341	OCCN(CCO)C(CO)(CO)CO

Formula

C8 H19 N O5

Name

2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL;
BIS-TRIS BUFFER

PDB chain

1ag9 Chain A Residue 351 [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	1ag9 A flavodoxin that is required for enzyme activation: the structure of oxidized flavodoxin from Escherichia coli at 1.8 A resolution.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	N17 M21 E146
Binding residue (residue number reindexed from 1)	N16 M20 E145
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0005515	protein binding
GO:0009055	electron transfer activity
GO:0010181	FMN binding

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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Molecular Function

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Cellular Component

External links

PDB	RCSB:1ag9, PDBe:1ag9, PDBj:1ag9
PDBsum	1ag9
PubMed	9416602
UniProt	P61949\|FLAV_ECOLI Flavodoxin 1 (Gene Name=fldA)

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