Structure of PDB 5gpn Chain p Binding Site BS01

Receptor Information
>5gpn Chain p (length=314) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGGRSSVSGIVATVFGATGFLGRYVVNHLGRMGSQVIVPYRCEPYDTMHL
RPMGDLGQIIFMEWNGKDKDSIRKVVEHSNVVINLVGREWETKNFDFEDV
FVKIPHAIAQVSKEAGVEKLIHISHLNADIKSPSRYLRSKAVGEKEVRAA
FPEATIIKPSDIFGREDRFLNYFASMRWFGGVPLISLGKETVKQPVYIVD
VSKGIINAIKDPDAKGKTFAFVGPNRYLLFDLVQYIFAVAYRPFLPYPLP
HFAYRWVGRLFEVSPFEPWTTRDKVERVHMSDMTLPHLPGLEDLGIQATP
LELKAIEVLRRHRT
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 chain5gpn Chain p 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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PDB5gpn The architecture of the mammalian respirasome.
Resolution5.4 Å
Binding residue
(original residue number in PDB)		G60 T62 G63 F64 L65 L129 V130 P203 D205 I206
Binding residue
(residue number reindexed from 1)		G16 T18 G19 F20 L21 L85 V86 P159 D161 I162
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links