Structure of PDB 7tgh Chain A9 Binding Site BS01

Receptor Information
>7tgh Chain A9 (length=338) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSTQLKFYDGGNRQSISGIRATIFGATGFMGPYIGAALGYIGSDVIFPHN
HVYAYDDYVKELKLCAGSGQSYIMRHFNYDDDNMYDMAIKNSNVVINLVG
SRLQNKNFQKAAYANIHVAKKIAEACARNPNVRRLIHFSAAGADTKSPSP
DLHTKFHGEEAVLNAFPNATIFRPCTVYGMQDYFIRHWIKERDWWYHFNI
VTDDCTAKRQPILINDVAQCVLNALKLQESAGQIYELGGPHVYSRLEVFE
MLANLSGRPPKLAHIPHDIALKITQNFYNWEFFNMEKVIKDKLDLIVTGK
HKTISDLYVQPVSFPQGAEQFIDDVRYRGVETHDNLEK
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 chain7tgh 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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PDB7tgh Structures of Tetrahymena 's respiratory chain reveal the diversity of eukaryotic core metabolism.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G49 T51 F53 M54 H75 L122 V123 G124 R126 K179 Y207
Binding residue
(residue number reindexed from 1)		G25 T27 F29 M30 H51 L98 V99 G100 R102 K155 Y183
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:7tgh, PDBe:7tgh, PDBj:7tgh
PDBsum7tgh
PubMed35357889
UniProtI7MLH2

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