Structure of PDB 5gwv Chain D Binding Site BS01

Receptor Information

>5gwv Chain D (length=333) Species: 67581,273057

DDDKMLAAEAANRDHVTRCVAQTGGSPDLVAHTAALRLYLRVPHFLTEWT
TDPDRRAAVSRALALDIVSMKLLDDLMDDDTGLDRVELACVCLRLHLRAL
HELESLARDPKAVTDILEQDAVHLCGGQIRTKRSRATNLREWRAHASTYG
STFLGRYGALAAACGGEGQPADSVREFAEAFAMTITMADDLTDYDRNGER
DGNLAHLMRTGAVAGQDVVDLLEELRGRALAAVAAPPGAPGLVPVVHLYT
DDVLVRLLPRHLGEAGAGAMATVKFKYKGEEKEVDISKIKKVWRVGKMIS
FTYDEGGGKTGRGAVSEKDAPKELLQMLEKQKK

Ligand information

• Ligand ID: 78S
• InChI: InChI=1S/C20H35O7P/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-26-19(20(21)22)15-27-28(23,24-5)25-6/h9,11,13,19H,7-8,10,12,14-15H2,1-6H3,(H,21,22)/b17-11+,18-13-/t19-/m1/s1
• InChIKey: SUINKCORNPNGEZ-MQDURZRJSA-N
• SMILES:
  CACTVS 3.385: CO[P](=O)(OC)OC[CH](OCC=C(C)CCC=C(C)CCC=C(C)C)C(O)=O
  OpenEye OEToolkits 2.0.6: CC(=CCCC(=CCCC(=CCOC(COP(=O)(OC)OC)C(=O)O)C)C)C
  OpenEye OEToolkits 2.0.6: CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C
  CACTVS 3.385: CO[P](=O)(OC)OC[C@@H](OC\C=C(C)/CC/C=C(C)/CCC=C(C)C)C(O)=O
• Formula: C20 H35 O7 P
• Name: (2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid
• PDB chain: 5gwv Chain D Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5gwv Complex structures of MoeN5 with substrate analogues suggest sequential catalytic mechanism.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): Y35 K67 D70 Q124 K128 Y145 F149
• Binding residue (residue number reindexed from 1): Y39 K71 D74 Q128 K132 Y149 F153
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0004521 RNA endonuclease activity

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5gwv, PDBe:5gwv, PDBj:5gwv
• PDBsum: 5gwv
• PubMed: 30837154
• UniProt: A0A010;
  P39476|DN7D_SACS2 DNA-binding protein 7d (Gene Name=sso7d)