Structure of PDB 4wxg Chain C Binding Site BS01

Receptor Information
>4wxg Chain C (length=410) Species: 299768 (Streptococcus thermophilus CNRZ1066) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYKAFDPELWNAIDAEAERQQNNIELIASENVVSKAVMAAQGTLLTNKYA
EGYPGKRYYGGTAVIDVVETLAIERAKKLFGAKFANVQPHSGSQANAAVY
MSLIQPGDTVMGMDLSAGGHLTHGAPVSFSGKTYNFVSYNVDKESELLDY
DAILAQAKEVRPKLIVAGASAYSRIIDFAKFREIADAVGAYLMVDMAHIA
GLVASGHHPSPVPYAHVTTTTTHKTLRGPRGGLILTDDEDIAKKLNSAVF
PGLQGGPLEHVIAAKAVALKEALDPAFKEYGENVIKNAAAMADVFNQHPD
FRVISGGTNNHLFLVDVTKVVENGKVAQNVLEEVNITLNKNSIPYEQLSP
FKTSGIRVGSPAITSRGMGEAESRQIAEWMVEALENHDKPEVLERIRGDV
KVLTDAFPLY
Ligand information
Ligand ID2BO
InChIInChI=1S/C12H19N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,7,10,14-16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)/t7-,10+/m1/s1
InChIKeyIZWQBQLGLAKRMN-XCBNKYQSSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@@H](O)[C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O
ACDLabs 12.01O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(O)C
OpenEye OEToolkits 1.7.6Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@@H](C)O)C(=O)O)O
CACTVS 3.385C[CH](O)[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
FormulaC12 H19 N2 O8 P
NameN-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine
ChEMBL
DrugBank
ZINCZINC000006545593
PDB chain4wxg 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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PDB4wxg Engineered L-Serine Hydroxymethyltransferase from Streptococcus thermophilus for the Synthesis of alpha , alpha-Dialkyl-alpha-Amino Acids.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y55 E57 Y65 G261
Binding residue
(residue number reindexed from 1)		Y49 E51 Y59 G255
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R236
Catalytic site (residue number reindexed from 1) R230
Enzyme Commision number 2.1.2.1: glycine hydroxymethyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004372 glycine hydroxymethyltransferase activity
GO:0008270 zinc ion binding
GO:0016740 transferase activity
GO:0030170 pyridoxal phosphate binding
GO:0050897 cobalt ion binding
GO:0070905 serine binding
Biological Process
GO:0006545 glycine biosynthetic process
GO:0006565 L-serine catabolic process
GO:0006730 one-carbon metabolic process
GO:0008652 amino acid biosynthetic process
GO:0019264 glycine biosynthetic process from serine
GO:0035999 tetrahydrofolate interconversion
GO:0046653 tetrahydrofolate metabolic process
GO:0046655 folic acid metabolic process
Cellular Component
GO:0005737 cytoplasm
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:4wxg, PDBe:4wxg, PDBj:4wxg
PDBsum4wxg
PubMed25611820
UniProtQ5M0B4|GLYA_STRT1 Serine hydroxymethyltransferase (Gene Name=glyA)

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