Structure of PDB 4ovp Chain B Binding Site BS01

Receptor Information
>4ovp 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 IDMAV
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-BYHBOUFCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0[C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.7.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.370O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
CACTVS 3.370O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(O)C(O)C(O)C1O
FormulaC6 H10 O7
Namealpha-D-mannopyranuronic acid;
alpha-D-mannuronic acid;
D-mannuronic acid;
mannuronic acid
ChEMBL
DrugBankDB01982
ZINC
PDB chain4ovp Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4ovp Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E75 R153 R173 M175 Y196 N213 E214 S217 R240
Binding residue
(residue number reindexed from 1)		E47 R125 R145 M147 Y168 N185 E186 S189 R212
Annotation score1
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:4ovp, PDBe:4ovp, PDBj:4ovp
PDBsum4ovp
PubMed25540822
UniProtA3T0D1|DCTP_SULSN Solute-binding protein NAS141_03721 (Gene Name=NAS141_03721)

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