Structure of PDB 1hv6 Chain A Binding Site BS01

Receptor Information
>1hv6 Chain A (length=351) Species: 28214 (Sphingomonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHPFDQAVVKDPTASYVDVKARRTFLQSGQLDDRLKAALPKEYDCTTEA
TPNPQQGEMVIPRRYLSGNHGPVNPDYEPVVTLYRDFEKISATLGNLYVA
TGKPVYATCLLNMLDKWAKADALLNYDPKSQSWYQVEWSAATAAFALSTM
MAEPNVDTAQRERVVKWLNRVARHQTSFPGGDTSCCNNHSYWRGQEATII
GVISKDDELFRWGLGRYVQAMGLINEDGSFVHEMTRHEQSLHYQNYAMLP
LTMIAETASRQGIDLYAYKENGRDIHSARKFVFAAVKNPDLIKKYASEPQ
DTRAFKPGRGDLNWIEYQRARFGFADELGFMTVPIFDPRTGGSATLLAYK
P
Ligand information
Ligand IDGCU
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-WAXACMCWSA-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
CACTVS 3.341O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(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
FormulaC6 H10 O7
Namealpha-D-glucopyranuronic acid;
alpha-D-glucuronic acid;
D-glucuronic acid;
glucuronic acid
ChEMBL
DrugBank
ZINCZINC000004213449
PDB chain1hv6 Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hv6 Crystal structure of alginate lyase A1-III complexed with trisaccharide product at 2.0 A resolution.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R88 W141 Y246 Y249 R342
Binding residue
(residue number reindexed from 1)		R85 W138 Y243 Y246 R339
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y68 N191 H192 R239 Y246
Catalytic site (residue number reindexed from 1) Y65 N188 H189 R236 Y243
Enzyme Commision number 4.2.2.3: mannuronate-specific alginate lyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0045135 poly(beta-D-mannuronate) lyase activity
Biological Process
GO:0042122 alginic acid catabolic process
Cellular Component
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:1hv6, PDBe:1hv6, PDBj:1hv6
PDBsum1hv6
PubMed11243798
UniProtQ9KWU1

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