Structure of PDB 5zl6 Chain C Binding Site BS01

Receptor Information
>5zl6 Chain C (length=372) Species: 1123962 (Leuconostoc mesenteroides subsp. sake) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYNAPHRHAVIELSQSAVVHNLKVIKENTHAKEIMAVLKANAFSHGLPEM
ASLSITAGATRFGMAMLDEALTLRDLGYIQPIDVLGLTDPRYARLAAERN
ITLAFSTKESIKAAAEQLAGTGLTLKVSLPVDTGLNRIGFKSREDLVAAI
QEVSAQDTLIFQSMWTHFATADTPNVDYVDFQISEWQRLTHDLPVEPNEK
HFANTGIATWYPEKINTDIVRLGIGLFGINGSVPIMSMPFELIPALSLKA
KVVNSKPLKKGDAVGYGAEYHAPNDGYLITIPIGHSDGYPFNGSGMRALV
ADGQIGHIVGGVAMDQSMIFVTNPVAVGTTVTLIGRVGDQSITMQDLAEH
TQSSIVALMNDFAPRLQRIIVS
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 chain5zl6 Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zl6 The first identification and characterization of a histidine-specific amino acid racemase, histidine racemase from a lactic acid bacterium, Leuconostoc mesenteroides subsp. sake NBRC 102480.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K40 R138 W166 H168 N205 T206 R222 G224 I225
Binding residue
(residue number reindexed from 1)		K39 R137 W165 H167 N204 T205 R221 G223 I224
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K40 R138 H168 R222 Y267 A314 D316
Catalytic site (residue number reindexed from 1) K39 R137 H167 R221 Y266 A313 D315
Enzyme Commision number 5.1.1.1: alanine racemase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008784 alanine racemase activity
GO:0016853 isomerase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006522 alanine metabolic process
GO:0009252 peptidoglycan biosynthetic process
GO:0030632 D-alanine biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5zl6, PDBe:5zl6, PDBj:5zl6
PDBsum5zl6
PubMed30377839
UniProtQ03Z32

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