Structure of PDB 6saw Chain A Binding Site BS01

Receptor Information

>6saw Chain A (length=307) Species: 1036674 (Idiomarina sp. A28L)

GSDDISKLIAACDQEPIHIPNAIQPFGAMLIVEKDTQQIVYASANSAEYF
SVADNTIHELSDIKQANINSLLPEHLISGLASAIRENEPIWVETDRLSFL
GWRHENYYIIEVERYHVQTSNWFEIQFQRAFQKLRNCKTHNDLINTLTRL
IQEISGYDRVMIYQFDPEWNGRVIAESVRQLFTSMLNHHFPASDIPAQAR
AMYSINPIRIIPDVNAEPQPLHMIHKPQNTEAVNLSSGVLRAVSPLHMQY
LRNFGVSASTSIGIFNEDELWGIVACHHTKPRAIGRRIRRLLVRTVEFAA
ERLWLIH

Ligand information

• Ligand ID: LBV
• InChI: InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p+1/b20-7+,26-13-,27-14-,28-15-/t19-/m0/s1
• InChIKey: DKMLMZVDTGOEGU-ISEYCTJISA-O
• SMILES:
  OpenEye OEToolkits 1.7.2: CC=C1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=[NH+]3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C
  OpenEye OEToolkits 1.7.2: C/C=C/1\C(C(=O)N\C1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C
  CACTVS 3.370: CC=C1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
  CACTVS 3.370: C/C=C/1[C@H](C)C(=O)NC/1=C/c2[nH]c(/C=C/3[NH+]=C(/C=C/4NC(=O)C(=C/4C)C=C)C(=C/3CCC(O)=O)C)c(CCC(O)=O)c2C
• Formula: C33 H37 N4 O6
• Name: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid;
  2(R),3(E)- PHYTOCHROMOBILIN
• PDB chain: 6saw Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6saw Distinct chromophore-protein environments enable asymmetric activation of a bacteriophytochrome-activated diguanylate cyclase.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): C17 Y168 M190 F195 D199 I200 P201 R214 H252 Y255
• Binding residue (residue number reindexed from 1): C12 Y163 M185 F190 D194 I195 P196 R209 H247 Y250
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.65: diguanylate cyclase.

Gene Ontology

Biological Process

• GO:0006355 regulation of DNA-templated transcription

External links

• PDB: RCSB:6saw, PDBe:6saw, PDBj:6saw
• PDBsum: 6saw
• PubMed: 31801828
• UniProt: F7RW09