Structure of PDB 4ysn Chain C Binding Site BS01

Receptor Information
>4ysn Chain C (length=448) Species: 1581 (Lentilactobacillus buchneri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGRHMELMGKLDKASKLIDEENKYYARSARINYYNLVIDHAHGATLVDVD
GNKYIDLLASASAINVGHTHEKVVKAIADQAQKLIHYTPAYFHHVPGMEL
SEKLAKIAPGNSPKMVSFGNSGSDANDAIIKFARAYTGRQYIVSYMGSYH
GSTYGSQTLSGSSLNMTRKIGPMLPSVVHVPYPDSYRTYPGETEHDVSLR
YFNEFKKPFESFLPADETACVLIEPIQGDGGIIKAPEEYMQLVYKFCHEH
GILFAIDEVNQGLGRTGKMWAIQQFKDIEPDLMSVGKSLASGMPLSAVIG
KKEVMQSLDAPAHLFTTAGNPVCSAASLATLDVIEYEGLVEKSATDGAYA
KQRFLEMQQRHPMIGDVRMWGLNGGIELVKDPKTKEPDSDAATKVIYYAF
AHGVVIITLAGNILRFQPPLVIPREQLDQALQVLDDAFTAVENGEVTI
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 chain4ysn Chain C Residue 1001 [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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PDB4ysn Crystal structure of the novel amino-acid racemase isoleucine 2-epimerase from Lactobacillus buchneri.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		S114 G115 S116 Y142 H143 E217 D250 V252 K280
Binding residue
(residue number reindexed from 1)		S121 G122 S123 Y149 H150 E224 D257 V259 K287
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A22 Y142 E217 D250 N253 K280 T309 R408
Catalytic site (residue number reindexed from 1) A29 Y149 E224 D257 N260 K287 T316 R415
Enzyme Commision number 5.1.1.21: isoleucine 2-epimerase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0016853 isomerase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding

View graph for
Molecular Function
External links
PDB RCSB:4ysn, PDBe:4ysn, PDBj:4ysn
PDBsum4ysn
PubMed28471367
UniProtM1GRN3|ILE2E_LENBU Isoleucine 2-epimerase

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