Structure of PDB 3k4h Chain B Binding Site BS02

Receptor Information

>3k4h Chain B (length=278) Species: 315749 (Bacillus cytotoxicus NVH 391-98)

NQTTKTLGLVMPSSASKAFQNPFFPEVIRGISSFAHVEGYALYMSTGETE
EEIFNGVVKMVQGRQIGGIILLYSRENDRIIQYLHEQNFPFVLIGKPYDR
KDEITYVDNDNYTAAREVAEYLISLGHKQIAFIGGGSDLLVTRDRLAGMS
DALKLADIVLPKEYILHFDFSRESGQQAVEELMGLQQPPTAIMATDDLIG
LGVLSALSKKGFVVPKDVSIVSFNNALLSEIASPPLSTVDVNIYQLGYEA
AKALVDKVENAESTAKCIIIPHKLLKRQ

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: 3k4h Chain D Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3k4h CRYSTAL STRUCTURE OF putative transcriptional regulator LacI from Bacillus cereus subsp. cytotoxis NVH 391-98
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): F27 I98 G99 D112 N113 N115 V145
• Binding residue (residue number reindexed from 1): F23 I94 G95 D108 N109 N111 V141
• 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:3k4h, PDBe:3k4h, PDBj:3k4h
• PDBsum: 3k4h
• UniProt: D0VWZ8