Structure of PDB 2c7t Chain A Binding Site BS01

Receptor Information
>2c7t Chain A (length=411) Species: 1397 (Niallia circulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DHWPEWPQHSDRTRRKIEEVFQSNRWAISGYWTGEESMERKFAKAFADFN
GVPYCVPTTSGSTALMLALEALGIGEGDEVIVPSLTWIATATAVLNVNAL
PVFVDVEADTYCIDPQLIKSAITDKTKAIIPVHLFGSMANMDEINEIAQE
HNLFVIEDCAQSHGSVWNNQRAGTIGDIGAFSCQQGKVLTAGEGGIIVTK
NPRLFELIQQLRADSRVYCDDSSELMHGDMQLVKKGDIQGSNYCLSEFQS
AILLDQLQELDDKNAIREKNAMFLNDALSKIDGIKVMKRPPQVSRQTYYG
YVFRFDPVKFGGLNADQFCEILREKLNMGTFYLHPPYLPVHKNPLFCPWT
KNRYLKSVRKTEAYWRGLHYPVSERASGQSIVIHHAILLAEPSHLSLLVD
AVAELARKFCV
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 chain2c7t Chain A Residue 1417 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2c7t Crystal structures of the PLP- and PMP-bound forms of BtrR, a dual functional aminotransferase involved in butirosin biosynthesis.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G66 S67 W92 D163 A165 Q166 S187 K192 C415 V416
Binding residue
(residue number reindexed from 1)		G61 S62 W87 D158 A160 Q161 S182 K187 C410 V411
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W92 D163 Q166 Q189 K192 D225 K239 C249
Catalytic site (residue number reindexed from 1) W87 D158 Q161 Q184 K187 D220 K234 C244
Enzyme Commision number 2.6.1.100: L-glutamine:2-deoxy-scyllo-inosose aminotransferase.
2.6.1.101: L-glutamine:3-amino-2,3-dideoxy-scyllo-inosose aminotransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0000271 polysaccharide biosynthetic process
GO:0017000 antibiotic biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2c7t, PDBe:2c7t, PDBj:2c7t
PDBsum2c7t
PubMed16894611
UniProtQ8G8Y2|GLDSA_NIACI L-glutamine:2-deoxy-scyllo-inosose aminotransferase (Gene Name=btrR)

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