Structure of PDB 6tgh Chain C Binding Site BS01

Receptor Information
>6tgh Chain C (length=410) Species: 1308 (Streptococcus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYKAFDPELWNAIDAEAERQQNNIELIASENVVSKAVMAAQGTLLTNKTA
EGYPGKRYYGGTAVIDVVETLAIERAKKLFGAKFANVQPHSGSQANAAVY
MSLIQPGDTVMGMDLSAGGHLTHGAPVSFSGKTYNFVSYNVDKESELLDY
DAILAQAKEVRPKLIVAGASAYSRIIDFAKFREIADAVGAYLMVDMAHIA
GLVASGHHPSPVPYAHVTTTTTHKTLRGPRGGLILTDDEDIAKKLNSAVF
PGLQGGPLEHVIAAKAVALKEALDPAFKEYGENVIKNAAAMADVFNQHPD
FRVISGGTNNHLFLVDVTKVVENGKVAQNVLEEVNITLNKNSIPYEQLSP
FKTSGIRVGSPAITSRGMGEAESRQIAEWMVEALENHDKPEVLERIRGDV
KVLTDAFPLY
Ligand information
Ligand IDEVM
InChIInChI=1S/C11H14N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/q-1/b13-3+
InChIKeyJFLJYKRWFQAEDK-QLKAYGNNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C-](CO)C(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=N[C-](CO)C(O)=O)c1O
ACDLabs 12.01C(O)(=O)[C-](\N=C\c1c(c(ncc1COP(O)(O)=O)C)O)CO
OpenEye OEToolkits 2.0.6Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C-](CO)C(=O)O)O
FormulaC11 H14 N2 O8 P
NameL-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]
ChEMBL
DrugBank
ZINC
PDB chain6tgh Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tgh Structural insights into nucleophile substrate specificity in variants of N-Serine hydroxymethyltransferase from Streptococcus thermophilus
Resolution2.12 Å
Binding residue
(original residue number in PDB)		E57 G261
Binding residue
(residue number reindexed from 1)		E51 G255
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T55 E57 D201 T227 K230 R236
Catalytic site (residue number reindexed from 1) T49 E51 D195 T221 K224 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:6tgh, PDBe:6tgh, PDBj:6tgh
PDBsum6tgh
PubMed
UniProtQ5M0B4|GLYA_STRT1 Serine hydroxymethyltransferase (Gene Name=glyA)

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