Structure of PDB 1hv6 Chain A Binding Site BS04

Receptor Information

>1hv6 Chain A (length=351) Species: 28214 (Sphingomonas sp.)

GSHPFDQAVVKDPTASYVDVKARRTFLQSGQLDDRLKAALPKEYDCTTEA
TPNPQQGEMVIPRRYLSGNHGPVNPDYEPVVTLYRDFEKISATLGNLYVA
TGKPVYATCLLNMLDKWAKADALLNYDPKSQSWYQVEWSAATAAFALSTM
MAEPNVDTAQRERVVKWLNRVARHQTSFPGGDTSCCNNHSYWRGQEATII
GVISKDDELFRWGLGRYVQAMGLINEDGSFVHEMTRHEQSLHYQNYAMLP
LTMIAETASRQGIDLYAYKENGRDIHSARKFVFAAVKNPDLIKKYASEPQ
DTRAFKPGRGDLNWIEYQRARFGFADELGFMTVPIFDPRTGGSATLLAYK
P

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  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
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 1hv6 Chain A Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1hv6 Crystal structure of alginate lyase A1-III complexed with trisaccharide product at 2.0 A resolution.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): G184 T186 S187
• Binding residue (residue number reindexed from 1): G181 T183 S184
• Annotation score: 3

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

External links

• PDB: RCSB:1hv6, PDBe:1hv6, PDBj:1hv6
• PDBsum: 1hv6
• PubMed: 11243798
• UniProt: Q9KWU1