Structure of PDB 4qgr Chain B Binding Site BS01

Receptor Information
>4qgr Chain B (length=373) Species: 359391 (Brucella abortus 2308) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMQFIDLGAQRARIENRLNAAISKVVAEGRYILGPEVAEFEKKLGEYLGV
EHVIACANGTDALQMPLMTRGIGPGHAVFVPSFTFAATAEVVALVGAEPV
FVDVDPDSYNMNVEQLEAAIAATIKEGRLEPKAIIPVDLFGLAASYNRIT
AIAEREGLFIIEDAAQSIGGKRDNVMCGAFGHVGATSFYPAKPLGCYGDG
GAMFTNDAELADTLRSVLFHGKGETQYDNVRIGINSRLDTIQAAVLLEKL
AILEDEMEARDRIARRYNEALKDVVKVPELPAGNRSAWAQYSIESENRDG
LKAQLQAEGIPSVIYYVKPLHLQTAYKHYSVAPGGLPVSESLPSRILSLP
MHPYLSEADQDKIIGVIRGFHGK
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 chain4qgr Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qgr Crystal structure of a DegT DnrJ EryC1 StrS family protein from Bartonella abortus
Resolution1.75 Å
Binding residue
(original residue number in PDB)		G58 T59 F84 A86 D162 A164 Q165 S186 K191
Binding residue
(residue number reindexed from 1)		G59 T60 F85 A87 D163 A165 Q166 S187 K192
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) F84 D162 Q165 Y188 K191 Y226 R236
Catalytic site (residue number reindexed from 1) F85 D163 Q166 Y189 K192 Y227 R237
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0000271 polysaccharide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4qgr, PDBe:4qgr, PDBj:4qgr
PDBsum4qgr
PubMed
UniProtQ2YRB9

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