Structure of PDB 8yod Chain D Binding Site BS01

Receptor Information
>8yod Chain D (length=592) Species: 10666 (Enterobacteria phage T6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKNEIKILSDIEHIKKRSGMYIGSSANEMHERFLFGKWESVQYVPGLVK
LIDEIIDNSVDEGIRTKFKFANKINVTIKNNQVTVEDNGRGIPQAMVKTP
TGEEIPGPVAAWTIPKAGGNFGDDKERVTGGMNGVGSSLTNIFSVMFVGE
TGDGQNNIVVRCSNGMENKSWETIPGKWKGTRVTFIPDFMSFETNELSQV
YLDITLDRLQTLAVVYPDIQFTFNGKKVQGNFKKYARQYDEHAIVQEQEN
CSIAVGRSPDGFRQLTYVNNIHTKNGGHHIDCVMDDICEDLIPQIKRKFK
IDVTKARVKECLTIVMFVRDMKNMRFDSQTKERLTSPFGEIRSHIQLDAK
KISRAILNNEAILMPIIEAALARKLAAEKAAETKAAKKASKAKVHKHIKA
NLCGKDADTTLFLTEGDSAIGYLIDVRDKELHGGYPLRGKVLNSWGMSYA
DMLKNKELFDICAITGLVLGEKAENLNYHNIAIMTDADHDGLGSIYPSLL
GFFSNWPELFEQGRIRFVKTPVIIAHVGKKQEWFYTVAEYESAKDALPKH
SIRYIKGLGSLEKSEYREMIQNPVYDVVKLPENWKELFEMLM
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain8yod Chain D Residue 701 [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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PDB8yod structure of phage T6 apo full-length topoisomerase II
Resolution6.8 Å
Binding residue
(original residue number in PDB)		N58 I92 A111 W112 A117 G118 N120 G131 M132 N133 G134 V135 G136 S137
Binding residue
(residue number reindexed from 1)		N58 I92 A111 W112 A117 G118 N120 G131 M132 N133 G134 V135 G136 S137
Annotation score4
External links