Structure of PDB 4zmr Chain B Binding Site BS02

Receptor Information

>4zmr Chain B (length=200) Species: 171101 (Streptococcus pneumoniae R6)

HMKVLVAEDQSMLRDAMCQLLTLQPDVESVLQAKNGQEAIQLLEKESVDI
AILDVEMPVKTGLEVLEWIRSEKLETKVVVVTTFKRAGYFERAVKAGVDA
YVLKERSIADLMQTLHTVLEGRKEYSPELMEMVMTRPNPLTEQEIAVLKG
IARGLSNQEIADQLYLSNGTIRNYVTNILSKLDAGNRTEAANIAKESGWL

Ligand information

• Ligand ID: BEF
• InChI: InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3
• InChIKey: OGIAHMCCNXDTIE-UHFFFAOYSA-K
• SMILES:
  OpenEye OEToolkits 1.5.0: [Be-](F)(F)F
  ACDLabs 10.04
  CACTVS 3.341: F[Be-](F)F
• Formula: Be F3
• Name: BERYLLIUM TRIFLUORIDE ION
• PDB chain: 4zmr Chain B Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4zmr Structural characterization of the full-length response regulator spr1814 in complex with a phosphate analogue reveals a novel conformational plasticity of the linker region
• Resolution: 2.001 Å
• Binding residue (original residue number in PDB): D53 V54 E55 T81 T82 F83 K103
• Binding residue (residue number reindexed from 1): D54 V55 E56 T82 T83 F84 K104
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0000156 phosphorelay response regulator activity
• GO:0000976 transcription cis-regulatory region binding
• GO:0003677 DNA binding
• GO:0046872 metal ion binding

Biological Process

• GO:0000160 phosphorelay signal transduction system
• GO:0006355 regulation of DNA-templated transcription

Cellular Component

• GO:0005829 cytosol
• GO:0032993 protein-DNA complex

External links

• PDB: RCSB:4zmr, PDBe:4zmr, PDBj:4zmr
• PDBsum: 4zmr
• PubMed: 27038544
• UniProt: Q8DNC2