Structure of PDB 4w6q Chain A Binding Site BS01

Receptor Information

>4w6q Chain A (length=331) Species: 342616 (Streptococcus agalactiae COH1)

ACMRTYITNLNGHSITSTAQIAQNMVTDIAVSLGFRELGIHSYPIDTDSP
EEMSKRLDGICSGLRKNDIVIFQTPTWNTTTFDEKLFHKLKIFGVKIVIF
IHDVVPLMFDGNFYLMDRTIAYYNEADVLIAPSQAMVDKLQSYGLTVKKI
LVQGMWDHPTNITLQAVNHKKLVHFPGNPERFNFIKNWRIPTELHVYTDH
NMQLPTTVVKEPYQSDEQLIMKMSEGGYGLVWMDDRDKQYQSLYCPYKLG
AYIAAGIPVIIQKGIANQDIIEKNNLGFIIEKIDDISNIVESTTEEEYME
IVSDVRRFNPLVRQGYFTRKLLTDAVFSALN

Ligand information

• Ligand ID: SER
• InChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
• InChIKey: MTCFGRXMJLQNBG-REOHCLBHSA-N
• SMILES:
  CACTVS 3.341: N[CH](CO)C(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C(=O)O)N)O
  CACTVS 3.341: N[C@@H](CO)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CO
  OpenEye OEToolkits 1.5.0: C([C@@H](C(=O)O)N)O
• Formula: C3 H7 N O3
• Name: SERINE
• ChEMBL: CHEMBL11298
• DrugBank: DB00133
• ZINC: ZINC000000895034
• PDB chain: 4w6q Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4w6q A conserved domain is crucial for acceptor substrate binding in a family of glucosyltransferases.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): K147 N329
• Binding residue (residue number reindexed from 1): K149 N331
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.4.1.-

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0008194 UDP-glycosyltransferase activity
• GO:0016757 glycosyltransferase activity
• GO:0035251 UDP-glucosyltransferase activity

Biological Process

• GO:0006486 protein glycosylation

External links

• PDB: RCSB:4w6q, PDBe:4w6q, PDBj:4w6q
• PDBsum: 4w6q
• PubMed: 25404702
• UniProt: A0A0M3KKZ0|GTF3_STRA6 Glucosyltransferase 3 (Gene Name=gtf3)