Structure of PDB 3qph Chain A Binding Site BS01

Receptor Information

>3qph Chain A (length=335) Species: 2261 (Pyrococcus furiosus)

SHALSEIGFTKYEILTYWTLLVYGPSTAKEISTKSGIPYNRVYDTISSLK
LRGFVTEIEGTPKVYAAYSPRIAFFRFKKELEDIMKKLEIELNNVKKEEQ
RPAIWRSRSFDEAIEMFRESLYSAKNEVIVVTPSEFFETIREDLIKTLER
GVTVSLYIDKIPDLSEFKGKGNFFVRQFYKLNHLIGMTDGKEVVTIQNAT
FDSIGPPSFKSTYPEIIFSQYSLIIEIFKESTLEKEIIGNPKDIRFFAMF
HAVDFVKNHLKNRNIYAEITGKNLESGRLETLTGRVVGYTLSLREAVNNI
HLETENGVVKVGGMFAVIEDYESTEIKFIMGVDLQ

Ligand information

• Ligand ID: GLC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 3qph Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3qph The three-dimensional structure of TrmB, a transcriptional regulator of dual function in the hyperthermophilic archaeon Pyrococcus furiosus in complex with sucrose.
• Resolution: 2.992 Å
• Binding residue (original residue number in PDB): N305 G320 M321 A323 E326
• Binding residue (residue number reindexed from 1): N298 G313 M314 A316 E319
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003677 DNA binding

External links

• PDB: RCSB:3qph, PDBe:3qph, PDBj:3qph
• PDBsum: 3qph
• PubMed: 23576322
• UniProt: Q9HGZ9|TRMBR_PYRFU HTH-type sugar sensing transcriptional regulator TrmB (Gene Name=trmB)