Structure of PDB 7uea Chain a Binding Site BS06

Receptor Information

>7uea Chain a (length=633) Species: 194439 (Chlorobaculum tepidum TLS)

TKWYQIFDTEKLDDEQVVGGHLALLGVLGFIMGIYYISGIQVFPWGAPGF
HDNWFYLTIKPRMVSLGIDTYSTKTADLEAAGARLLGWAAFHFLVGSVLI
FGGWRHWTHNLTNFRDFRFLGKFGDVVFNGTSAKSYKEALGPHAVYMSLL
FLGWGIVMWAILGFAPIPDFQTINSETFMSFVFAVIFFALGIYWWNNPPN
AAIHLNDDMKAAFSVHLTAIGYINIALGCIAFVAFQQPSFAPYYKELDKL
VFYLYGEPFNRVSFNFVAKEFADFPAYAILPKSGEAFGMARVVTNLIVFN
HIICGVLYVFAGVYHGGQYLLKIQLNGMYNQIKSIWITKGRDQEVQVKIL
GTVMALCFATMLSVYAVIVWNTICELNIFGTNITMSFYWLKPLPIFQWMF
ADPSINDWVMAHVITAGSLFSLIALVRIAFFAHTSPLWDDLGLKKNSYSF
PCLGPVYGGTCGVSIQDQLWFAMLWGIKGLSAVCWYIDGAWIASMMYGVP
AADAKAWDSIAHLHHHYTSGIFYYFWTETVTIFSSSHLSTILMIGHLVWF
ISFAVWFEDRGSRLEGADIQTRTIRWLGKKFLNRDVNFRFPVLTISDSKL
AGTFLYFGGTFMLVFLFLANGFYQTNSPLPPPV

Ligand information

• Ligand ID: GS0
• InChI: InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34?,35?,39?,40?,51+;/m1./s1
• InChIKey: DSJXIQQMORJERS-NDWDOOJPSA-M
• SMILES:
  OpenEye OEToolkits 2.0.7: CC[C@@H]1[C@H](C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C
  CACTVS 3.385: CC[C@@H]1[C@H](C)C2=Cc3n4[Mg][N@]5C(=CC1=N2)C(=C6C(=O)[C@@H](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C(C)=O)[C@@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
  OpenEye OEToolkits 2.0.7: CCC1C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C
  CACTVS 3.385: CC[CH]1[CH](C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C
• Formula: C55 H74 Mg N4 O6
• Name: Bacteriochlorophyll A isomer
• PDB chain: 7uea Chain a Residue 804

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7uea Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
• Resolution: 3.49 Å
• Binding residue (original residue number in PDB): M436 V439 V488 K553 S556 W560 I567 F600 T604 F608 H621 W624 T685 L688 V689 F692
• Binding residue (residue number reindexed from 1): M361 V364 V413 K478 S481 W485 I492 F525 T529 F533 H546 W549 T610 L613 V614 F617
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0015979 photosynthesis

Cellular Component

• GO:0009579 thylakoid
• GO:0016020 membrane

External links

• PDB: RCSB:7uea, PDBe:7uea, PDBj:7uea
• PDBsum: 7uea
• PubMed: 36192412
• UniProt: Q8KAY0