Structure of PDB 6yxy Chain EK Binding Site BS01

Receptor Information

>6yxy Chain EK (length=84) Species: 5702 (Trypanosoma brucei brucei)

YLLNKDDVLTRVLEVVKNFEKVDASKVTPQSHFVNDLGLNSLDVVEVVFA
IEQEFILDIPDHDAEKIQSITDAVEYISQNPMAK

Ligand information

• Ligand ID: PM8
• InChI: InChI=1S/C21H41N2O7PS/c1-4-5-6-7-8-9-10-11-18(25)32-15-14-22-17(24)12-13-23-20(27)19(26)21(2,3)16-30-31(28)29/h19,26,31H,4-16H2,1-3H3,(H,22,24)(H,23,27)(H,28,29)/t19-/m0/s1
• InChIKey: BPRKYNVKIAROET-IBGZPJMESA-N
• SMILES:
  CACTVS 3.385: CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[PH](O)=O
  ACDLabs 10.04: O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)O)CCCCCCCCC
  OpenEye OEToolkits 1.7.5: CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)O)O
  OpenEye OEToolkits 1.7.5: CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O
  CACTVS 3.385: CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)=O
• Formula: C21 H41 N2 O7 P S
• Name: S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) DECANETHIOATE
• ZINC: ZINC000058660945
• PDB chain: 6yxy Chain EK Residue 200

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6yxy Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis.
• Resolution: 3.1 Å
• Binding residue (original residue number in PDB): S105 L106
• Binding residue (residue number reindexed from 1): S41 L42
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N104
• Catalytic site (residue number reindexed from 1): N40

Gene Ontology

Molecular Function

• GO:0000035 acyl binding
• GO:0000036 acyl carrier activity

Biological Process

• GO:0006633 fatty acid biosynthetic process

Cellular Component

• GO:0005739 mitochondrion
• GO:0005759 mitochondrial matrix
• GO:1902494 catalytic complex

External links

• PDB: RCSB:6yxy, PDBe:6yxy, PDBj:6yxy
• PDBsum: 6yxy
• PubMed: 32679035
• UniProt: Q57WW9