Structure of PDB 7cdx Chain B Binding Site BS02

Receptor Information

>7cdx Chain B (length=272) Species: 1453998 (Agrobacterium tumefaciens A6)

TNVIALVLSVDEELMGFTSQMVFGITEVLATTQYHLVVTPHTHAKDSMVP
IRYILETGSADGVIISKIEPNDPRVRFMTERKMPFVTHGRSDMGIEHAYH
DFDNEAYAYEAVERLAQCGRKRIAIIVPPSRFAFHDHARKGFTRGIRDFG
VSEFPLDAITIETPLDKIRDFGKRLMQSDDRPDGIVSISGSSTIALVAGF
EAAGVRIGKDIDIVSKQSAEFLNWIQPQIHTVNEDIKLAGRELAKALLAR
INGAPPETLQSVSRPVWSSMAP

Ligand information

• Ligand ID: FRU
• InChI: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
• InChIKey: RFSUNEUAIZKAJO-ARQDHWQXSA-N
• SMILES:
  ACDLabs 10.04: OC1C(O)C(OC1(O)CO)CO
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
  CACTVS 3.341: OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)(CO)O)O)O)O
  CACTVS 3.341: OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
• Formula: C6 H12 O6
• Name: beta-D-fructofuranose;
  beta-D-fructose;
  D-fructose;
  fructose
• ChEMBL: CHEMBL604608
• ZINC: ZINC000001529270
• PDB chain: 7cdx Chain D Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7cdx Structural basis of a novel repressor, SghR, controllingAgrobacteriuminfection by cross-talking to plants.
• Resolution: 2.103 Å
• Binding residue (original residue number in PDB): S142 K143 I144 H164 D177 F210 E310
• Binding residue (residue number reindexed from 1): S66 K67 I68 H88 D101 F134 E234
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0000976 transcription cis-regulatory region binding
• GO:0003677 DNA binding
• GO:0003700 DNA-binding transcription factor activity

Biological Process

• GO:0006355 regulation of DNA-templated transcription

External links

• PDB: RCSB:7cdx, PDBe:7cdx, PDBj:7cdx
• PDBsum: 7cdx
• PubMed: 32651231
• UniProt: A0A2I4PGE9