eF-site ID 1ncq-A
PDB Code 1ncq
Chain A

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Title The structure of HRV14 when complexed with pleconaril, an antiviral compound
Classification VIRUS
Compound COAT PROTEIN VP1
Source ORGANISM_SCIENTIFIC: Human rhinovirus 14;
Sequence A:  TVASISSGPKHTQKVPILTANETGATMPVLPSDSIETRTT
YMHFNGSETDVECFLGRAACVHVTEIQNKDATGIDNHREA
KLFNDWKINLSSLVQLRKKLELFTYVRFDSEYTILATASQ
PDSANYSSNLVVQAMYVPPGAPNPKEWDDYTWQSASNPSV
FFKVGDTSRFSVPYVGLASAYNCFYDGYSHDDAETQYGIT
VLNHMGSMAFRIVNEHDEHKTLVKIRVYHRAKHVEAWIPR
APRALPYTSIGRTNYPKNTEPVIKKRKGDIKSY
Description (1)  Coat protein VP1/Coat protein VP2/Coat protein VP3/Coat protein VP4


Functional site

1) chain A
residue 104
type
ligand
sequence I
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC1

2) chain A
residue 128
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC1

3) chain A
residue 150
type
ligand
sequence A
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC1

4) chain A
residue 152
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC1

5) chain A
residue 174
type
ligand
sequence P
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC1

6) chain A
residue 175
type
ligand
sequence S
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC1

7) chain A
residue 176
type
ligand
sequence V
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC1

8) chain A
residue 186
type
ligand
sequence F
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC1

9) chain A
residue 197
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC1

10) chain A
residue 224
type
ligand
sequence M
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC1

11) chain A
residue 102
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence W
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001

12) chain A
residue 104-106
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence INL
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001

13) chain A
residue 126
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence S
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001

14) chain A
residue 128
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence Y
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001

15) chain A
residue 130
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence I
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001

16) chain A
residue 150-152
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence AMY
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001

17) chain A
residue 174-176
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence PSV
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001

18) chain A
residue 186
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence F
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001

19) chain A
residue 188
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence V
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001

20) chain A
residue 191
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence V
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001

21) chain A
residue 197
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence Y
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001

22) chain A
residue 219
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence N
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001

23) chain A
residue 221
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence M
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001

24) chain A
residue 224
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence M
description 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE binding site
source pdb_hetatom : W11_1ncq_A_7001


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