Structure of PDB 7qz7 Chain A Binding Site BS01

Receptor Information
>7qz7 Chain A (length=102) Species: 1359 (Lactococcus cremoris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPKEMLRAQTNVILLNVLKQGDNYVYGIIKQVKEASNGEMELNEATLYTI
FKRLEKDGIISSYWGDGRRKYYRLTEIGHENMRLAFESWSRVDKIIENLE
AN
Ligand information
Ligand IDDM1
InChIInChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
InChIKeySTQGQHZAVUOBTE-VGBVRHCVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC5OC4OC(C(O)C(N)C4)C
OpenEye OEToolkits 1.5.0CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O
CACTVS 3.341COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O
CACTVS 3.341COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[CH]5C[CH](N)[CH](O)[CH](C)O5)c4c(O)c3C(=O)c12)C(C)=O
FormulaC27 H29 N O10
NameDAUNOMYCIN;
DAUNORUBICIN
ChEMBLCHEMBL178
DrugBankDB00694
ZINCZINC000003917708
PDB chain7qz7 Chain B Residue 201 [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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PDB7qz7 The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		V15 F93 X96
Binding residue
(residue number reindexed from 1)		V12 F86 X89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links