Structure of PDB 2fni Chain B Binding Site BS01

Receptor Information
>2fni 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 IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain2fni Chain B Residue 376 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fni Structural and Functional Characterization of PseC, an Aminotransferase Involved in the Biosynthesis of Pseudaminic Acid, an Essential Flagellar Modification in Helicobacter pylori
Resolution3.0 Å
Binding residue
(original residue number in PDB)		A56 T57 D154 S156 H157 S178 K183
Binding residue
(residue number reindexed from 1)		A56 T57 D154 S156 H157 S178 K183
Annotation score1
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:2fni, PDBe:2fni, PDBj:2fni
PDBsum2fni
PubMed16421095
UniProtO25130|PSEC_HELPY UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine transaminase (Gene Name=pseC)

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