Structure of PDB 7tvp Chain A Binding Site BS02
Receptor Information
>7tvp Chain A (length=225) Species:
12908
(unclassified sequences) [
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HMSELSEIDSVAGVTIYSVDGEPKSFVYKAGFAIDADGAPNAYAPNNGGT
DFTANGGDDQGGDWWGGPVDAEGYPIKQKIFDPFPGYYVSATAHFNPAYS
EDSPYRYIDSNSIPFIVLPGNHSNGAKLGDVALVYNEKTGDNCYAIYGDV
GPSSKIGQGSVRLAQALKIDDNPKAGGTESRIVVTLVFPGSVGKWETPKR
WFSHANQLTKAWGGLSRLKTLSDQL
Ligand information
Ligand ID
GCS
InChI
InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
InChIKey
MSWZFWKMSRAUBD-QZABAPFNSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O
CACTVS 3.341
N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(O1)O)N)O)O)O
CACTVS 3.341
N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
ACDLabs 10.04
OC1C(O)C(OC(O)C1N)CO
Formula
C6 H13 N O5
Name
2-amino-2-deoxy-beta-D-glucopyranose;
beta-D-glucosamine;
2-amino-2-deoxy-beta-D-glucose;
2-amino-2-deoxy-D-glucose;
2-amino-2-deoxy-glucose;
D-GLUCOSAMINE
ChEMBL
CHEMBL234432
DrugBank
ZINC
ZINC000003860468
PDB chain
7tvp Chain B Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
7tvp
Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase.
Resolution
1.3 Å
Binding residue
(original residue number in PDB)
D36 A90 T91 A92 D148 V149
Binding residue
(residue number reindexed from 1)
D37 A91 T92 A93 D149 V150
Annotation score
4
External links
PDB
RCSB:7tvp
,
PDBe:7tvp
,
PDBj:7tvp
PDBsum
7tvp
PubMed
36123347
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