Structure of PDB 1y3n Chain A Binding Site BS02

Receptor Information
>1y3n Chain A (length=490) Species: 90322 (Sphingomonas sp. A1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REATWVTEKPLTLKIHMHFRDKWVWDENWPVAREVARLTNVKLVGVANRA
ATNSQEQFNLMMASGQLPDIVGGDNLKDKFIRYGMEGAFIPLNKLIDQNA
PNLKAFFKTHPEVQRAITAPDGNIYYLPYVPDGLVSRGYFIRQDWLDKLH
LKTPQTVDELYTVLKAFKEKDPNGNGKADEIPFINRDPEEVFRLVNFWGA
RSTGSNTWMDFYVENGKIKHPFAEVAFKDGIKHVAQWYKEGLIDPEIFTR
KARSREQTFGNNIGGMTHDWFASTALFNDALSKNIPGFKLVPMAPPINSK
GQRWEEDARQIPRPDGWAITATNKNPVETIKLFDFYFGPKGRELSNFGVP
GLTYDIKNGKPVYKDTVLKAAQPVNNQMYDIGAQIPIGFWQDYEYERQWT
NDVALQGIDMYIKNKYVLPQFTGVNLTVEEREIYDKYWPDVKTYMFEMGQ
SWVMGTKDPEKTWNDYQQQLKNRGFYQVMIVMQKAYDRQY
Ligand information
Ligand IDBEM
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-SYJWYVCOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.341O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
FormulaC6 H10 O7
Namebeta-D-mannopyranuronic acid;
beta-D-mannuronic acid;
D-mannuronic acid;
mannuronic acid;
(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000004095780
PDB chain1y3n Chain B Residue 2 [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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PDB1y3n Direct Evidence for Sphingomonas sp. A1 Periplasmic Proteins as Macromolecule-Binding Proteins Associated with the ABC Transporter: Molecular Insights into Alginate Transport in the Periplasm(,)
Resolution1.6 Å
Binding residue
(original residue number in PDB)		W270 S273 N375 Y395 E396
Binding residue
(residue number reindexed from 1)		W270 S273 N375 Y395 E396
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=5.55,Kd=2.8uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1y3n, PDBe:1y3n, PDBj:1y3n
PDBsum1y3n
PubMed15794643
UniProtQ9KWT6

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