Structure of PDB 8qru Chain B Binding Site BS01

Receptor Information

>8qru Chain B (length=415) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LRANLLVLLTVVAVVAGVALGLGVSGAGGALALGPERLSAFVFPGELLLR
LLRMIILPLVVCSLIGGAASLDPGALGRLGAWALLFFLVTTLLASALGVG
LALALQPGAASKEVLDSFLDLARNIFPSNLVSAAFRSYSTTYEERVKVPV
GQEVEGMNILGLVVFAIVFGVALRKLGPEGELLIRFFNSFNEATMVLVSW
IMWYAPVGIMFLVAGKIVEMEDVGLLFARLGKYILCCLLGHAIHGLLVLP
LIYFLFTRKNPYRFLWGIVTPLATAFGTSSSSATLPLMMKCVEENNGVAK
HISRFILPIGATVNMDGAALFQCVAAVFIAQLSQQSLDFVKIITILVTAT
ASSVGAAGIPAGGVLTLAIILEAVNLPVDHISLILAVDWLVDRSCTVLNV
EGDALGAGLLQNYVD

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

8qru Chain B Residue 601 [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	8qru Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	S351 S352 S353 A390 G430 I431 G434 G435 D464 C467 T468 N471
Binding residue (residue number reindexed from 1)	S279 S280 S281 A318 G358 I359 G362 G363 D392 C395 T396 N399
Annotation score	5

External links

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

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