Structure of PDB 8bqs Chain CA Binding Site BS02

Receptor Information
>8bqs Chain CA (length=599) Species: 312017 (Tetrahymena thermophila SB210) [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 chain8bqs 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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PDB8bqs Structural basis of mitochondrial membrane bending by I-II-III2-IV2 supercomplex
Resolution2.9 Å
Binding residue
(original residue number in PDB)		A56 G57 T78 K79 L80 S85 H86 T87 A89 A90 G92 V208 A244 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 A52 A53 G55 V171 A207 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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8bqs, PDBe:8bqs, PDBj:8bqs
PDBsum8bqs
PubMed
UniProtQ23DI3

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