Structure of PDB 9b1o Chain A Binding Site BS01

Receptor Information

>9b1o Chain A (length=515) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FSELLDLVGGLGRFQVLQTMALMVSIMWLCTQSMLENFSAAVPSHRCWAP
LLDNSTAVSTSLSPEALLAISIPPGPNQRPHQCRRFRQPQWQLLDPNATA
TSWSEADTEPCVDGWVYDRSIFTSTIVAKWNLVCDSHALKPMAQSIYLAG
ILVGAAACGPASDRFGRRLVLTWSYLQMAVMGTAAAFAPAFPVYCLFRFL
LAFAVAGVMMNTGTLLMEWTAARARPLVMTLNSLGFSFGHGLTAAVAYGV
RDWTLLQLVVSVPFFLCFLYSWWLPESARWLIIKGKPDQALQELRKVARI
NGHKEAKNLTIEVLMSSVKEEVASAKEPRSVLDLFCVPGLRFRTCISTLC
WFAFGFTFFGLALDLQALGSNIFLLQMFIGVVDIPAKMGALLLLSHLGRR
PTLAASLLLAGLCILANTLVPHEMGALRSALAVLGLGGVGAAFTCITIYS
SELFPTVLRMTAVGLGQMAARGGAILGPLVRLLGVHGPWLPLLVYGTVPV
LSGLAALLLPETQSL

Ligand information

Ligand ID

VGL

InChI

InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)

InChIKey

NIPZZXUFJPQHNH-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C(O)c1nccnc1
OpenEye OEToolkits 1.6.1	c1cnc(cn1)C(=O)O
CACTVS 3.352	OC(=O)c1cnccn1

Formula

C5 H4 N2 O2

Name

PYRAZINE-2-CARBOXYLIC ACID;
PYRAZINOIC ACID

PDB chain

9b1o Chain A Residue 602 [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	9b1o Transport mechanism and structural pharmacology of human urate transporter URAT1.
Resolution	3.1 Å
Binding residue (original residue number in PDB)	F238 S239 H242 F360 I381 D385 K389 L438
Binding residue (residue number reindexed from 1)	F236 S237 H240 F358 I379 D383 K387 L436
Annotation score	2

External links

PDB	RCSB:9b1o, PDBe:9b1o, PDBj:9b1o
PDBsum	9b1o
PubMed	39245778
UniProt	Q96S37\|S22AC_HUMAN Solute carrier family 22 member 12 (Gene Name=SLC22A12)

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