Structure of PDB 2fnu Chain B Binding Site BS03

Receptor Information
>2fnu Chain B (length=374) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKEFAYSEPCLDKEDKKAVLEVLNSKQLTQGKRSLLFEEALCEFLGVKHA
LVFNSATSALLTLYRNFSEFSADRNEIITTPISFVATANMLLESGYTPVF
AGIKNDGNIDELALEKLINERTKAIVSVDYAGKSVEVESVQKLCKKHSLS
FLSDSSHALGSEYQNKKVGGFALASVFSFHAIKPITTAEGGAVVTNDSEL
HEKMKLFRSHGMLKKDFFEGEVKSIGHNFRLNEIQSALGLSQLKKAPFLM
QKREEAALTYDRIFKDNPYFTPLHPLLKDKSSNHLYPILMHQKFFTCKKL
ILESLHKRGILAQVHYKPIYQYQLYQQLFNTAPLKSAEDFYHAEISLPCH
ANLNLESVQNIAHSVLKTFESFKI
Ligand information
Ligand IDUD1
InChIInChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1
InChIKeyLFTYTUAZOPRMMI-CFRASDGPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
CACTVS 3.341CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O
ACDLabs 10.04O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
FormulaC17 H27 N3 O17 P2
NameURIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
ChEMBLCHEMBL388154
DrugBankDB03397
ZINCZINC000008551100
PDB chain2fnu Chain B Residue 904 [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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PDB2fnu Structural and Functional Characterization of PseC, an Aminotransferase Involved in the Biosynthesis of Pseudaminic Acid, an Essential Flagellar Modification in Helicobacter pylori
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Y6 P9 F84 H180 A181 I182 Q313 H315 Y316
Binding residue
(residue number reindexed from 1)		Y6 P9 F84 H180 A181 I182 Q313 H315 Y316
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) F84 D154 H157 H180 K183 K214 G220 R230
Catalytic site (residue number reindexed from 1) F84 D154 H157 H180 K183 K214 G220 R230
Enzyme Commision number 2.6.1.92: UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine transaminase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0000271 polysaccharide biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2fnu, PDBe:2fnu, PDBj:2fnu
PDBsum2fnu
PubMed16421095
UniProtO25130|PSEC_HELPY UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine transaminase (Gene Name=pseC)

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