Structure of PDB 1qaz Chain A Binding Site BS01

Receptor Information
>1qaz 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 IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1qaz Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qaz Crystal structure of alginate lyase A1-III from Sphingomonas species A1 at 1.78 A resolution.
Resolution1.78 Å
Binding residue
(original residue number in PDB)
G184 T186 S187
Binding residue
(residue number reindexed from 1)
G181 T183 S184
Annotation score3
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 3.5.1.45: Transferred entry: 6.3.4.6.
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:1qaz, PDBe:1qaz, PDBj:1qaz
PDBsum1qaz
PubMed10390348
UniProtQ9KWU1

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