Structure of PDB 6fyq Chain A Binding Site BS01

Receptor Information
>6fyq Chain A (length=443) Species: 1473 (Virgibacillus pantothenticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSLTELDKKHFIHPFSSIQEQQHKGAKVIMKEGDGIYLTDVTGKTYIDGV
SSLWNVNVGHGRVELAEAAAQQMKKMAFSSAFSTFSHEPAIRLAEKIASI
TPEGLNAVFFTSGGSESNDSAVKLVRHYWKIQGKPNKRKIISLKRSYHGV
AAASTSVTGIPEFWGMAGHMMTDFLHVDTHYNNTTEQAVQSLCQAIEEAG
PETIAAFFAEPVQGAGGVIIPPEDYFLRIREVCNAYGILFVADEVITGFG
RTGKMFGIENWDVIPDVMTFAKGVTSGYFPLGGVVVSDPIHEVLKEKSVG
TLFHGFTYSGHPTAAAVALKNIAIIKEERLVENSKRMGDALLHGLKKVKN
RLEIVGDVRFVGLLGAVELMQNPATNKPFSSNLQVAPKVIEALHELGVIC
RSVTYDHTNIICLAPPLIINQKQVDKLVEVIYEAILKVQQQLG
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 chain6fyq Chain A Residue 501 [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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PDB6fyq Strategic single point mutation yields a solvent- and salt-stable transaminase from Virgibacillus sp. in soluble form.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G115 S116 Y148 H149 G150 E211 D244 V246 I247 K273
Binding residue
(residue number reindexed from 1)		G114 S115 Y147 H148 G149 E210 D243 V245 I246 K272
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F16 Y148 D244 K273
Catalytic site (residue number reindexed from 1) F15 Y147 D243 K272
Enzyme Commision number 2.6.1.18: beta-alanine--pyruvate transaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0016223 beta-alanine:pyruvate transaminase activity
GO:0030170 pyridoxal phosphate binding

View graph for
Molecular Function
External links
PDB RCSB:6fyq, PDBe:6fyq, PDBj:6fyq
PDBsum6fyq
PubMed30401905
UniProtA0A4P1LYG1

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