Structure of PDB 3taj Chain A Binding Site BS01

Receptor Information

>3taj Chain A (length=341) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADA
LNLDGGYIYTAGKCGLVPVLAENRKSSKHSSLDCVLRPTEGYLAVAVVKK
ANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSC
APGADPKSRLCALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVA
FVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPVTEAQSCHLAV
APNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLF
NDNTECLAKLGGRPTYEEYLGTEYVTAIANLKKCSLEACAF

Ligand information

Ligand ID

NBO

InChI

InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3

InChIKey

BLXXJMDCKKHMKV-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01	O=C(C)CCc1ccc2c(c1)ccc(OC)c2
OpenEye OEToolkits 1.7.2	CC(=O)CCc1ccc2cc(ccc2c1)OC
CACTVS 3.370	COc1ccc2cc(CCC(C)=O)ccc2c1

Formula

C15 H16 O2

Name

nabumetone;
4-(6-methoxynaphthalen-2-yl)butan-2-one

PDB chain

3taj Chain A Residue 700 [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	3taj Crystal structure of C-lobe of bovine lactoferrin complexed with Nabumetone at 1.7A resolution
Resolution	1.7 Å
Binding residue (original residue number in PDB)	T430 G432 P593 N594 E659 Y660 G662 T663
Binding residue (residue number reindexed from 1)	T89 G91 P252 N253 E318 Y319 G321 T322
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.4.21.-

Gene Ontology

	Cellular Component
GO:0005576	extracellular region

View graph for
Cellular Component

External links

PDB	RCSB:3taj, PDBe:3taj, PDBj:3taj
PDBsum	3taj
PubMed
UniProt	P24627\|TRFL_BOVIN Lactotransferrin (Gene Name=LTF)

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