Structure of PDB 8gzu Chain sa Binding Site BS01
Receptor Information
>8gzu Chain sa (length=599) Species:
312017
(Tetrahymena thermophila SB210) [
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LTDKYTVIDHTYDAIVVGAGGAGLRAAFGLVEEGFKTACITKLFPTRSHT
VAAQGGINAALGNMTEDDWKWHFYDTVKGSDWLGDQDAIQYMTREAPAAV
LELESYGLPFSRTPEGKIYQRAFGGQSLKFGKGGQARRTACAADRTGHAM
LHTLFGRSLAYNCNFFIEYFVIDLIMDEEGACRGVICMSMADGSIHRIRA
HYTVLAAGGYGRSYLSCTAAHTCTGDGMALATRAGLPLEDPEFVQFHPTG
IYGSGCLMTEGCRGEGGILVNSNGEAFMEKYAPTAKDLASRDVVSRAMTI
EILEGRGVGPKKDHIFLQLHHLSPETLHQRLPGISETARIFAGVDVTKEP
APVVPTVHYNMGGVPTNWKTEVITQDKNGKDKIVPGLLAAGENACASVHG
ANRLGANSLLDIVVFGRAAAKLVKEKLKPGTPHKDLPKNAGEQALARLDK
YRFANGEYTTHHVRTAMQETMQRHAAVFRIEKLMAEGVQKLDHIYEQSKS
LKTFDRGLVWNTDLIETLELENLLLCSKQTLLAGLLRKESRGAHARDDFK
ERDDKNWMKHSLTWIKDVNTGKTEVTYRDVINHTLDSEVTPVPPAKRSY
Ligand information
Ligand ID
FAD
InChI
InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKey
VWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
Software
SMILES
CACTVS 3.341
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04
O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
Formula
C27 H33 N9 O15 P2
Name
FLAVIN-ADENINE DINUCLEOTIDE
ChEMBL
CHEMBL1232653
DrugBank
DB03147
ZINC
ZINC000008215434
PDB chain
8gzu Chain sa Residue 701 [
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Receptor-Ligand Complex Structure
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PDB
8gzu
Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Resolution
4.18 Å
Binding residue
(original residue number in PDB)
A56 G57 T78 K79 L80 S85 H86 T87 A89 A90 G92 V208 G245 T255 A443 S445
Binding residue
(residue number reindexed from 1)
A19 G20 T41 K42 L43 S48 H49 T50 A52 A53 G55 V171 G208 T218 A406 S408
Annotation score
1
Enzymatic activity
Enzyme Commision number
1.3.5.1
: succinate dehydrogenase.
Gene Ontology
Molecular Function
GO:0008177
succinate dehydrogenase (quinone) activity
GO:0009055
electron transfer activity
GO:0016491
oxidoreductase activity
GO:0016627
oxidoreductase activity, acting on the CH-CH group of donors
GO:0050660
flavin adenine dinucleotide binding
Biological Process
GO:0006099
tricarboxylic acid cycle
GO:0006121
mitochondrial electron transport, succinate to ubiquinone
GO:0022900
electron transport chain
Cellular Component
GO:0005743
mitochondrial inner membrane
GO:0016020
membrane
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:8gzu
,
PDBe:8gzu
,
PDBj:8gzu
PDBsum
8gzu
PubMed
37248254
UniProt
Q23DI3
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