Structure of PDB 9f1i Chain I Binding Site BS03

Receptor Information

>9f1i Chain I (length=224) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PSLEESGGDLVKPGASLTLTCTASGFSFSAGYDMCWVRQAPGKGLEWIAC
IYADGSGSTYYANWAKGRFTISLASSTTVTLQMTGLTAADTATYFCAREG
ADGPDYGYAAFSLWGPGTLVTVSSGQPKAPSVFPLAPCCGDTPSSTVTLG
CLVKGYLPEPVTVTWNSGTLTNGVRTFPSVRQSSGLYSLSSVVSVTSSSQ
PVTCNVAHPATNTKVDKTVAPSTC

Ligand information

Ligand ID

PFX

InChI

InChI=1S/C6H13NO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H,8,9)

InChIKey

RUVRGYVESPRHSZ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	NCCOCCOCC(O)=O
OpenEye OEToolkits 2.0.7	C(COCCOCC(=O)O)N

Formula

C6 H13 N O4

Name

2-[2-(2-azanylethoxy)ethoxy]ethanoic acid

PDB chain

9f1i Chain Q Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	9f1i Development of a first-in-class antibody and a specific assay for alpha-1,6-fucosylated prostate-specific antigen.
Resolution	1.38 Å
Binding residue (original residue number in PDB)	Y52 T59
Binding residue (residue number reindexed from 1)	Y52 T59
Annotation score	1

External links

PDB	RCSB:9f1i, PDBe:9f1i, PDBj:9f1i
PDBsum	9f1i
PubMed	39020051

[Back to BioLiP]