Structure of PDB 8owf Chain A Binding Site BS04

Receptor Information
>8owf Chain A (length=563) Species: 1502 (Clostridium perfringens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SELNRKLVGYFPEWAYSSEAQGYFNVTDLQWDSLTHIQYSFAMVDPSTNK
ITLSNKHAAIEEDFSEFDLNYNGKKIELDPSLPYKGHFNVLQTMKKNYPD
VSLLISVGGWTGTRCFYTMIDTDNRINTFADSCVDFIRKYGFDGVDIDFE
YPSSTSQSGNPDDFDLSEPRRTKLNERYNILIKTLREKIDMASKEDGKEY
LLTAAVTASPWVLGGISDNTYAKYLDFLSIMSYDYHGGWNEYVEHLAGIY
PNKEDRETVTQIMPTLCMDWAYRYYRGVLPAEKILMGIPYYTRGWENVQG
GINGLHGSSKTPASGKYNILGDDLNNDGVLEPAGANPLWHVLNLMEQDPN
LKVYWDEISKVPYVWQNDKKVFVSFENEKSIDARLEYIQNKNLGGALIWV
MNGDYGLNPNYVEGSNKINEGKYTFGDTLTKRLSQGLKKMGVCNKTPDDL
NISLEPINVDVKFNGKYDHPNYTYSIDITNYTDKEIKGGWNVSFDLPKSA
VFKSSWGGTYSVTDNGDFNTITLTSGAWQNIAPNSTITVQGMIGLCFSGI
RNVTFNGMNPIGN
Ligand information
Ligand IDGCS
InChIInChI=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
InChIKeyMSWZFWKMSRAUBD-QZABAPFNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O
CACTVS 3.341N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)N)O)O)O
CACTVS 3.341N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1N)CO
FormulaC6 H13 N O5
Name2-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
ChEMBLCHEMBL234432
DrugBank
ZINCZINC000003860468
PDB chain8owf Chain B Residue 5 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8owf Towards automated crystallographic structure refinement with phenix.refine.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		W156 D280
Binding residue
(residue number reindexed from 1)		W110 D234
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008061 chitin binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0030247 polysaccharide binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8owf, PDBe:8owf, PDBj:8owf
PDBsum8owf
PubMed
UniProtF8UNI5

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