Structure of PDB 7zkp Chain b Binding Site BS01

Receptor Information

>7zkp Chain b (length=64) Species: 4952 (Yarrowia lipolytica)

ALFTSLVGASGLGFATKFLSNKIRLKPAGYYPLGYVFSGVAWAGLGLVLH
NVHQHSLEVLEKKK

Ligand information

• Ligand ID: T7X
• InChI: InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11+,19-17+,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
• InChIKey: KRTOMQDUKGRFDJ-TWUHCGEESA-N
• SMILES:
  CACTVS 3.385: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C/C=C\C/C=C/C/C=C/CCCCC
  OpenEye OEToolkits 2.0.4: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
  CACTVS 3.385: CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
  OpenEye OEToolkits 2.0.4: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C/CCCCC
  ACDLabs 12.01: C1(C(C(C(C(C1O)O)O)O)O)OP(OCC(OC(CCCC=[C@H]CC=[C@H]C[C@H]=CC\C=C\CCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O
• Formula: C47 H83 O13 P
• Name: Phosphatidylinositol
• ZINC: ZINC000584905691
• PDB chain: 7zkp Chain b Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7zkp Insights into complex I assembly: Function of NDUFAF1 and a link with cardiolipin remodeling.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): K18 R25 Y31 Y32 W43
• Binding residue (residue number reindexed from 1): K17 R24 Y30 Y31 W42
• Annotation score: 1

External links

• PDB: RCSB:7zkp, PDBe:7zkp, PDBj:7zkp
• PDBsum: 7zkp
• PubMed: 36383672
• UniProt: A0A1D8NGI5