Structure of PDB 4f4f Chain A Binding Site BS01

Receptor Information
>4f4f Chain A (length=464) Species: 224914 (Brucella melitensis bv. 1 str. 16M) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMKYVSTRGEAPVLGFSDALLAGLARDGGLYLPQEYPQFTAEQIRALRGK
SYVEVALAVLTPFTGGEIPAADFERMVREAYGTFRHDAVCPLVQTDANEF
VLELFHGPTLAFKDVAMQLLARMMDYVLAQRGERATIVGATSGDTGGAAI
EAFGGRDNTDIFILFPNGRVSPVQQRQMTSSGFSNVHALSIEGNFDDCQN
LVKGMFNDLEFCDALSLSGVNSINWARIMPQVVYYFTAALSLGAPDRAVS
FTVPTGNFGDIFAGYVAKRMGLPIEQLIIATNDNDILSRTLESGAYEMRG
VAQTTSPSMDIQISSNFERLLFEAHGRDAAAVRGLMQGLKQSGGFTISEK
PLSAIRSEFSAGRSTVDETAATIESVLSKDGYLLDPHSAIGVKVAREKAS
GTAPMVVLATAHPAKFPDAVKAACGVEPQLPAWLCDLMQRKESFTVLHNE
LKIVEEYVRHHSRA
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 chain4f4f Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4f4f X-Ray crystal structure of PLP bound Threonine synthase from Brucella melitensis
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F111 K112 T254 G255 N256 F257 D259 S307 M308 H386 T409
Binding residue
(residue number reindexed from 1)		F112 K113 T255 G256 N257 F258 D260 S308 M309 H387 T410
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K112
Catalytic site (residue number reindexed from 1) K113
Enzyme Commision number 4.2.3.1: threonine synthase.
Gene Ontology
Molecular Function
GO:0004795 threonine synthase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0009088 threonine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4f4f, PDBe:4f4f, PDBj:4f4f
PDBsum4f4f
PubMed
UniProtQ8YFS0

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