Structure of PDB 4nx1 Chain B Binding Site BS01

Receptor Information
>4nx1 Chain B (length=302) Species: 314267 (Sulfitobacter sp. NAS-14.1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVLRGASMFDEEHAFTKTLRKFEELVDEKYDGDVTFDLRLNGELGVESDY
VTFLNQGVAIDYTILAPSNMAKFAPSIPLMDMPFLFRDLDHWNAVLSSDV
LAPLEDELLEKADIKIVGYTGGGTRNLLSKQPVVTFDDLKGHKMRVMGAP
IQAQIFQALTAAPSAIAYNEVYNAIQTGVIAGFENEAASIQNLKFYEVAP
NLTLTRHSITVRPIVMSGKTFNSLPADLQAVVLEAGEEAGAYGRELESRE
DGVKLQEMVDAGQLTVSEFENRDKMLEMVKPVQDAYAAEIGASDLLEAVR
AK
Ligand information
Ligand IDX1X
InChIInChI=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
InChIKeyAEMOLEFTQBMNLQ-JWKHNPINSA-N
SMILES
SoftwareSMILES
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 1.7.6C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.385O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.385O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@@H]1O)C(O)=O
FormulaC6 H10 O7
Namealpha-D-talopyranuronic acid;
alpha-D-taluronic acid;
D-taluronic acid;
taluronic acid;
alpha-D-taluronate
ChEMBL
DrugBank
ZINCZINC000034455266
PDB chain4nx1 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nx1 Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Resolution1.6 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 score4
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
PDBsum4nx1
PubMed25540822
UniProtA3T0D1|DCTP_SULSN Solute-binding protein NAS141_03721 (Gene Name=NAS141_03721)

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