Structure of PDB 6b0k Chain B Binding Site BS02
Receptor Information
>6b0k Chain B (length=451) Species:
53246
(Pseudoalteromonas) [
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QKPNIILIVADDLGYADVGFNGSKDIITPNIDDLAKSGTSFSDAYVAHPF
SGPSRAALMTGRYPHKIGSQFNLPTRGSNVGVPTDAKFISKLLNENNYFT
GALGKWHMGDTPQHHPNKRGFDEYYGFLGGGHNYFPDQYQPQYKKQKAQG
LKNIFEYITPLEHNGKEVKETQYITDALSREAVNFVDKAVNKKHPFFLYL
AYNAPHTPLQAKDEDMAMFPNIKNKDRKTYAGMVYAVDRGVGKLVEALKK
NNQYDNTLIVFMSDNGGKLSKGANNFPLKAGKGSTQEGGFRVPMLFHWPK
HVPAGKRFSHPVSALDLYPTFAALAGAKVEENQHLDGTNMWPAFIKNENP
HKDEPIYALRHRKGYSDAAIRMNQWKALKVNQQPWQLFNIENDISEKHDV
SKSNKALLTDMVREMEKWSWDNQQPSWFHETTEGVNWRLDAMPRFDKTFK
T
Ligand information
Ligand ID
9RN
InChI
InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m1/s1
InChIKey
DCQFFOLNJVGHLW-RDQKPOQOSA-N
SMILES
Software
SMILES
CACTVS 3.385
O[C@H]1O[C@@H]2CO[C@H]([C@H]1O)[C@H]2O
ACDLabs 12.01
OC1OC2COC(C2O)C1O
OpenEye OEToolkits 2.0.7
C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O
OpenEye OEToolkits 2.0.7
C1C2C(C(O1)C(C(O2)O)O)O
CACTVS 3.385
O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O
Formula
C6 H10 O5
Name
3,6-anhydro-alpha-D-galactopyranose
ChEMBL
DrugBank
ZINC
PDB chain
6b0k Chain B Residue 503 [
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Receptor-Ligand Complex Structure
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PDB
6b0k
The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Resolution
2.15 Å
Binding residue
(original residue number in PDB)
Y184 T234
Binding residue
(residue number reindexed from 1)
Y157 T207
Annotation score
1
External links
PDB
RCSB:6b0k
,
PDBe:6b0k
,
PDBj:6b0k
PDBsum
6b0k
PubMed
29681469
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