Structure of PDB 4nx1 Chain B Binding Site BS01
Receptor Information
>4nx1 Chain B (length=302) Species:
314267
(Sulfitobacter sp. NAS-14.1) [
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TVLRGASMFDEEHAFTKTLRKFEELVDEKYDGDVTFDLRLNGELGVESDY
VTFLNQGVAIDYTILAPSNMAKFAPSIPLMDMPFLFRDLDHWNAVLSSDV
LAPLEDELLEKADIKIVGYTGGGTRNLLSKQPVVTFDDLKGHKMRVMGAP
IQAQIFQALTAAPSAIAYNEVYNAIQTGVIAGFENEAASIQNLKFYEVAP
NLTLTRHSITVRPIVMSGKTFNSLPADLQAVVLEAGEEAGAYGRELESRE
DGVKLQEMVDAGQLTVSEFENRDKMLEMVKPVQDAYAAEIGASDLLEAVR
AK
Ligand information
Ligand ID
X1X
InChI
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4-,6-/m0/s1
InChIKey
AEMOLEFTQBMNLQ-JWKHNPINSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
[C@@H]1([C@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.7.6
C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.385
O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 12.01
O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.385
O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@@H]1O)C(O)=O
Formula
C6 H10 O7
Name
alpha-D-talopyranuronic acid;
alpha-D-taluronic acid;
D-taluronic acid;
taluronic acid;
alpha-D-taluronate
ChEMBL
DrugBank
ZINC
ZINC000034455266
PDB chain
4nx1 Chain B Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
4nx1
Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Resolution
1.6 Å
Binding residue
(original residue number in PDB)
E75 R153 R173 M175 Y196 N213 E214 R240
Binding residue
(residue number reindexed from 1)
E47 R125 R145 M147 Y168 N185 E186 R212
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
T44
Catalytic site (residue number reindexed from 1)
T16
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0030246
carbohydrate binding
Biological Process
GO:0055085
transmembrane transport
Cellular Component
GO:0030288
outer membrane-bounded periplasmic space
GO:0042597
periplasmic space
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:4nx1
,
PDBe:4nx1
,
PDBj:4nx1
PDBsum
4nx1
PubMed
25540822
UniProt
A3T0D1
|DCTP_SULSN Solute-binding protein NAS141_03721 (Gene Name=NAS141_03721)
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