Structure of PDB 9f1i Chain I Binding Site BS02
Receptor Information
>9f1i Chain I (length=224) Species:
9986
(Oryctolagus cuniculus) [
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PSLEESGGDLVKPGASLTLTCTASGFSFSAGYDMCWVRQAPGKGLEWIAC
IYADGSGSTYYANWAKGRFTISLASSTTVTLQMTGLTAADTATYFCAREG
ADGPDYGYAAFSLWGPGTLVTVSSGQPKAPSVFPLAPCCGDTPSSTVTLG
CLVKGYLPEPVTVTWNSGTLTNGVRTFPSVRQSSGLYSLSSVVSVTSSSQ
PVTCNVAHPATNTKVDKTVAPSTC
Ligand information
Ligand ID
FUC
InChI
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKey
SHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
Software
SMILES
CACTVS 3.341
C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0
CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341
C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
Formula
C6 H12 O5
Name
alpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBL
CHEMBL1232862
DrugBank
DB04473
ZINC
ZINC000001532814
PDB chain
9f1i Chain C Residue 2 [
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Receptor-Ligand Complex Structure
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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)
A30 G31 Y32 D33 Y52 D54
Binding residue
(residue number reindexed from 1)
A30 G31 Y32 D33 Y52 D54
Annotation score
4
External links
PDB
RCSB:9f1i
,
PDBe:9f1i
,
PDBj:9f1i
PDBsum
9f1i
PubMed
39020051
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