Structure of PDB 6m32 Chain a Binding Site BS12

Receptor Information
>6m32 Chain a (length=628) Species: 194439 (Chlorobaculum tepidum TLS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKWYQIFDTEKLDDEQVVGGHLALLGVLGFIMGIYYISGIQVFPWGAPGF
HDNWFYLTIKPRMVSLGIDTYSTKTADLEAAGARLLGWAAFHFLVGSVLI
FGGWRHWTHNLTNPFTGRCGNFRDFSAKSYKEALGPHAVYMSLLFLGWGI
VMWAILGFAPIPDFQTINSETFMSFVFAVIFFALGIYWWNNPPNAAIHLN
DDMKAAFSVHLTAIGYINIALGCIAFVAFQQPSFAPYYKELDKLVFYLYG
EPFNRVSFNFSGAKEFADFPAYAILPKSGEAFGMARVVTNLIVFNHIICG
VLYVFAGVYHGGQYLLKIQLNGMYNQIKSIWITKGRDQEVQVKILGTVMA
LCFATMLSVYAVIVWNTICELNIFGTNITMSFYWLKPLPIFQWMFADPSI
NDWVMAHVITAGSLFSLIALVRIAFFAHTSPLWDDLGLKKNSYSFPCLGP
VYGGTCGVSIQDQLWFAMLWGIKGLSAVCWYIDGAWIASMMYGVPAADAK
AWDSIAHLHHHYTSGIFYYFWTETVTIFSSSHLSTILMIGHLVWFISFAV
WFEDRGSRLEGADIQTRTIRWLGKKFLNRDVNFRFPVLTISDSKLAGTFL
YFGGTFMLVFLFLANGFYQTNSPLPPPV
Ligand information
Ligand IDBCL
InChIInChI=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
InChIKeyDSJXIQQMORJERS-AGGZHOMASA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=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[Mg++].CC[CH]1[CH](C)C2=Cc3[n-]c(C=C4N=C([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[CH]5C(=O)OC)C)c(C)c3C(C)=O
CACTVS 3.385[Mg++].CC[C@@H]1[C@@H](C)C2=Cc3[n-]c(C=C4N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[C@@H]5C(=O)OC)C)c(C)c3C(C)=O
OpenEye OEToolkits 2.0.7CCC1C(C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=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
FormulaC55 H74 Mg N4 O6
NameBACTERIOCHLOROPHYLL A
ChEMBL
DrugBankDB01853
ZINC
PDB chain6m32 Chain a Residue 809 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6m32 Architecture of the photosynthetic complex from a green sulfur bacterium.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R120 T238 I239 S241 E242 M245 F249 F306
Binding residue
(residue number reindexed from 1)		R62 T166 I167 S169 E170 M173 F177 F234
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009579 thylakoid
GO:0016020 membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6m32, PDBe:6m32, PDBj:6m32
PDBsum6m32
PubMed33214250
UniProtQ8KAY0

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