Structure of PDB 8qrr Chain B Binding Site BS01

Receptor Information

>8qrr Chain B (length=420) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

CLRANLLVLLTVVAVVAGVALGLGVSGAGGALALGPERLSAFVFPGELLL
RLLRMIILPLVVCSLIGGAASLDPGALGRLGAWALLFFLVTTLLASALGV
GLALALQPGAASAASKEVLDSFLDLARNIFPSNLVSAAFRSYSTTYEERR
VKVPVGQEVEGMNILGLVVFAIVFGVALRKLGPEGELLIRFFNSFNEATM
VLVSWIMWYAPVGIMFLVAGKIVEMEDVGLLFARLGKYILCCLLGHAIHG
LLVLPLIYFLFTRKNPYRFLWGIVTPLATAFGTSSSSATLPLMMKCVEEN
NGVAKHISRFILPIGATVNMDGAALFQCVAAVFIAQLSQQSLDFVKIITI
LVTATASSVGAAGIPAGGVLTLAIILEAVNLPVDHISLILAVDWLVDRSC
TVLNVEGDALGAGLLQNYVD

Ligand information

Ligand ID

GLN

InChI

InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1

InChIKey

ZDXPYRJPNDTMRX-VKHMYHEASA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CC(=O)N)C(C(=O)O)N
OpenEye OEToolkits 1.5.0	C(CC(=O)N)[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(N)CCC(N)C(=O)O
CACTVS 3.341	N[CH](CCC(N)=O)C(O)=O
CACTVS 3.341	N[C@@H](CCC(N)=O)C(O)=O

Formula

C5 H10 N2 O3

Name

GLUTAMINE

PDB chain

8qrr Chain B Residue 604 [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	8qrr Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.
Resolution	2.78 Å
Binding residue (original residue number in PDB)	S352 S353 A390 G430 I431 D464 T468 N471
Binding residue (residue number reindexed from 1)	S285 S286 A323 G363 I364 D397 T401 N404
Annotation score	5

External links

PDB	RCSB:8qrr, PDBe:8qrr, PDBj:8qrr
PDBsum	8qrr
PubMed	39095408
UniProt	Q15758\|AAAT_HUMAN Neutral amino acid transporter B(0) (Gene Name=SLC1A5)

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