Structure of PDB 6nhh Chain F Binding Site BS02

Receptor Information

>6nhh Chain F (length=256) Species: 272943 (Cereibacter sphaeroides 2.4.1)

AGGGHVEDVPFSFEGPFGTFDQHQLQRGLQVYTEVCAACHGMKFVPIRSL
SEPGGPELPEDQVRAYATQFTVTDEETGEDREGKPTDHFPHSALENAPDL
SLMAKARAGFHGPMGTGISQLFNGIGGPEYIYSVLTGFPEEPPKCAEGHE
PDGFYYNRAFQNGSVPDTCKDANGVKTTAGSWIAMPPPLMDDLVEYADGH
DASVHAMAEDVSAFLMWAAEPKLMARKQAGFTAVMFLTVLSVLLYLTNKR
LWAGVK

Ligand information

• Ligand ID: 8SP
• InChI: InChI=1S/C22H42NO10P/c1-3-5-7-9-11-13-20(24)30-15-18(33-21(25)14-12-10-8-6-4-2)16-31-34(28,29)32-17-19(23)22(26)27/h18-19H,3-17,23H2,1-2H3,(H,26,27)(H,28,29)/t18-,19+/m1/s1
• InChIKey: TWOCGGYLNFTSJO-MOPGFXCFSA-N
• SMILES:
  CACTVS 3.370: CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCC
  OpenEye OEToolkits 1.7.6: CCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCC
  OpenEye OEToolkits 1.7.6: CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC
  CACTVS 3.370: CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC
  ACDLabs 12.01: O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCC)CCCCCCC
• Formula: C22 H42 N O10 P
• Name: O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine
• PDB chain: 6nhh Chain F Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6nhh Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): H111 G112 G115 G117 Q120
• Binding residue (residue number reindexed from 1): H111 G112 G115 G117 Q120
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0009055 electron transfer activity
• GO:0020037 heme binding
• GO:0046872 metal ion binding

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6nhh, PDBe:6nhh, PDBj:6nhh
• PDBsum: 6nhh
• PubMed: 31182483
• UniProt: Q3IY11