Structure of PDB 8b6g Chain CA Binding Site BS02

Receptor Information
>8b6g Chain CA (length=599) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTDKYTVIDHTYDAIVVGAGGAGLRAAFGLVEEGFKTACITKLFPTRSHT
VAAQGGINAALGNMTEDDWKWHFYDTVKGSDWLGDQDAIQYMTREAPAAV
LELESYGLPFSRTPEGKIYQRAFGGQSLKFGKGGQARRTACAADRTGHAM
LHTLFGRSLAYNCNFFIEYFVIDLIMDEEGACRGVICMSMADGSIHRIRA
HYTVLAAGGYGRSYLSCTAAHTCTGDGMALATRAGLPLEDPEFVQFHPTG
IYGSGCLMTEGCRGEGGILVNSNGEAFMEKYAPTAKDLASRDVVSRAMTI
EILEGRGVGPKKDHIFLQLHHLSPETLHQRLPGISETARIFAGVDVTKEP
APVVPTVHYNMGGVPTNWKTEVITQDKNGKDKIVPGLLAAGENACASVHG
ANRLGANSLLDIVVFGRAAAKLVKEKLKPGTPHKDLPKNAGEQALARLDK
YRFANGEYTTHHVRTAMQETMQRHAAVFRIEKLMAEGVQKLDHIYEQSKS
LKTFDRGLVWNTDLIETLELENLLLCSKQTLLAGLLRKESRGAHARDDFK
ERDDKNWMKHSLTWIKDVNTGKTEVTYRDVINHTLDSEVTPVPPAKRSY
Ligand information
Ligand IDFAD
InChIInChI=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
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=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 1.5.0Cc1cc2c(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 1.5.0Cc1cc2c(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 3.341Cc1cc2N=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 10.04O=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
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain8b6g Chain CA Residue 702 [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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PDB8b6g Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		A56 G57 T78 K79 L80 S85 H86 T87 A90 Q91 G92 F207 V208 G245 D263 L294 H395 Y396 E429 R440 A443 S445 I449
Binding residue
(residue number reindexed from 1)		A19 G20 T41 K42 L43 S48 H49 T50 A53 Q54 G55 F170 V171 G208 D226 L257 H358 Y359 E392 R403 A406 S408 I412
Annotation score1
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
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Cellular Component
External links
PDB RCSB:8b6g, PDBe:8b6g, PDBj:8b6g
PDBsum8b6g
PubMed36949187
UniProtQ23DI3

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