Structure of PDB 3fcr Chain A Binding Site BS01

Receptor Information
>3fcr Chain A (length=458) Species: 292414 (Ruegeria sp. TM1040) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMLKNDQLDQWDRDNFFHPSTHLAQHARGESANRVIKTASGVFIEDRDGT
KLLDAFAGLYCVNVGYGRQEIAEAIADQARELAYYHSYVGHGTEASITLA
KMILDRAPKNMSKVYFGLGGSDANETNVKLIWYYNNILGRPEKKKIISRW
RGYHGSGLVTGSLTGLELFHKKFDLPVEQVIHTEAPYYFRREDLNQTEEQ
FVAHCVAELEALIEREGADTIAAFIGEPILGTGGIVPPPAGYWEAIQTVL
NKHDILLVADEVVTGFGRLGTMFGSDHYGLEPDIITIAKGLTSAYAPLSG
SIVSDKVWKVLEQGTDENGPIGHGWTYSAHPIGAAAGVANLKLLDELNLV
SNAGEVGAYLNATMAEALSQHANVGDVRGEGLLCAVEFVKDRDSRTFFDA
ADKIGPQISAKLLEQDKIIARAMPQGDILGFAPPFCLTRAEADQVVEGTL
RAVKAVLG
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 chain3fcr Chain A Residue 458 [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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PDB3fcr Crystal structure of putative aminotransferase (YP_614685.1) from SILICIBACTER SP. TM1040 at 1.80 A resolution
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G119 S120 Y152 H153 E226 D259 V261 X288
Binding residue
(residue number reindexed from 1)		G120 S121 Y153 H154 E227 D260 V262 X289
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S19 Y152 E226 D259 V262 K288 T325 G429
Catalytic site (residue number reindexed from 1) S20 Y153 E227 D260 V263 K289 T326 G430
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding

View graph for
Molecular Function
External links
PDB RCSB:3fcr, PDBe:3fcr, PDBj:3fcr
PDBsum3fcr
PubMed
UniProtQ1GD43

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