Structure of PDB 1ve5 Chain D Binding Site BS02

Receptor Information
>1ve5 Chain D (length=280) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSLQDLYAAFRRIAPYTHRTPLLTSRLLDGLLGKRLLLKAEHLQKTGSFK
ARGALSKALALENPKGLLAVSSGNHAQGVAYAAQVLGVKALVVMPVARAL
QEETGYALIHPFDDPLVIAGQGTAGLELLAQAGRMGVFPGAVLAPVGGGG
LLAGLATAVKALSPTTLVLGVEPEAADDAKRSLEAGRILRLEAPPRTRAD
GVRTLSLGERTFPILRERVDGILTVSEEALLEAERLLFTRTKQVVEPTGA
LPLAAVLEHGARLPQTLALLLSGGNRDFSP
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 chain1ve5 Chain D Residue 1913 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ve5 Crystal Structure of T.th. HB8 Threonine deaminase
Resolution2.15 Å
Binding residue
(original residue number in PDB)		F50 K51 N75 G178 G179 G180 G181 V233 E277 T279 S303 G304
Binding residue
(residue number reindexed from 1)		F49 K50 N74 G147 G148 G149 G150 V202 E246 T248 S272 G273
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K51 S57 S73 E203 A207 D209 G232 L302 S303
Catalytic site (residue number reindexed from 1) K50 S56 S72 E172 A176 D178 G201 L271 S272
Enzyme Commision number 4.3.1.19: threonine ammonia-lyase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0003941 L-serine ammonia-lyase activity
GO:0005524 ATP binding
GO:0018114 threonine racemase activity
GO:0030170 pyridoxal phosphate binding
GO:0030378 serine racemase activity
GO:0046872 metal ion binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0070179 D-serine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1ve5, PDBe:1ve5, PDBj:1ve5
PDBsum1ve5
PubMed
UniProtQ5SLL4

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