Structure of PDB 8gym Chain a9 Binding Site BS01

Receptor Information
>8gym Chain a9 (length=340) Species: 312017 (Tetrahymena thermophila SB210) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQRSTQLKFYDGGNRQSISGIRATIFGATGFMGPYIGAALGYIGSDVIFP
HNHVYAYDDYVKELKLCAGSGQSYIMRHFNYDDDNMYDMAIKNSNVVINL
VGSRLQNKNFQKAAYANIHVAKKIAEACARNPNVRRLIHFSAAGADTKSP
SPDLHTKFHGEEAVLNAFPNATIFRPCTVYGMQDYFIRHWIKERDWWYHF
NIVTDDCTAKRQPILINDVAQCVLNALKLQESAGQIYELGGPHVYSRLEV
FEMLANLSGRPPKLAHIPHDIALKITQNFYNWEFFNMEKVIKDKLDLIVT
GKHKTISDLYVQPVSFPQGAEQFIDDVRYRGVETHDNLEK
Ligand information
Ligand IDNDP
InChIInChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyACFIXJIJDZMPPO-NNYOXOHSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
CACTVS 3.341NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341NC(=O)C1=CN(C=CC1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
FormulaC21 H30 N7 O17 P3
NameNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
ChEMBLCHEMBL407009
DrugBankDB02338
ZINCZINC000008215411
PDB chain8gym Chain a9 Residue 401 [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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PDB8gym Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Resolution2.96 Å
Binding residue
(original residue number in PDB)		G49 T51 G52 F53 M54 H75 Y103 L122 V123 G124 R126 A138 A164 K179 V201 Y207
Binding residue
(residue number reindexed from 1)		G27 T29 G30 F31 M32 H53 Y81 L100 V101 G102 R104 A116 A142 K157 V179 Y185
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0044877 protein-containing complex binding
Biological Process
GO:1901006 ubiquinone-6 biosynthetic process
Cellular Component
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8gym, PDBe:8gym, PDBj:8gym
PDBsum8gym
PubMed37248254
UniProtI7MLH2

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