eF-site ID 1nd3-A
PDB Code 1nd3
Chain A

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Title The structure of HRV16, when complexed with pleconaril, an antiviral compound
Classification VIRUS
Compound coat protein VP1
Source ORGANISM_SCIENTIFIC: Human rhinovirus 16;
Sequence A:  NPVERYVDEVLNEVLVVPNINQSHPTTSNAAPVLDAAETG
HTNKIQPEDTIETRYVQSSQTLDEMSVESFLGRSGCIHES
VLDIVDNYNDQSFTKWNINLQEMAQIRRKFEMFTYARFDS
EITMVPSVAAKDGHIGHIVMQYMYVPPGAPIPTTRDDYAW
QSGTNASVFWQHGQPFPRFSLPFLSIASAYYMFYDGYDGD
TYKSRYGTVVTNDMGTLCSRIVTSEQLHKVKVVTRIYHKA
KHTKAWCPRPPRAVQYSHTHTTNYKLSSEVHNDVAIRPRT
NLTTV
Description (1)  Coat protein VP1/Coat protein VP2/Coat protein VP3/Coat protein VP4


Functional site

1) chain A
residue 134
type
ligand
sequence H
description BINDING SITE FOR RESIDUE ZN A 6000
source : AC1

2) chain A
residue 98
type
ligand
sequence I
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

3) chain A
residue 122
type
ligand
sequence I
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

4) chain A
residue 142
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

5) chain A
residue 143
type
ligand
sequence M
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

6) chain A
residue 144
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

7) chain A
residue 166
type
ligand
sequence A
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

8) chain A
residue 168
type
ligand
sequence V
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

9) chain A
residue 179
type
ligand
sequence F
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

10) chain A
residue 181
type
ligand
sequence L
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

11) chain A
residue 184
type
ligand
sequence L
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

12) chain A
residue 190
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

13) chain A
residue 212
type
ligand
sequence N
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

14) chain A
residue 214
type
ligand
sequence M
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

15) chain A
residue 217
type
ligand
sequence L
description BINDING SITE FOR RESIDUE W11 A 7001
source : AC2

16) chain A
residue 77
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_1nd3_A_7001

17) chain A
residue 96
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_1nd3_A_7001

18) chain A
residue 98-100
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_1nd3_A_7001

19) chain A
residue 118
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_1nd3_A_7001

20) chain A
residue 120
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_1nd3_A_7001

21) chain A
residue 122
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_1nd3_A_7001

22) chain A
residue 124
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_1nd3_A_7001

23) chain A
residue 142-144
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence YMY
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_1nd3_A_7001

24) chain A
residue 166-168
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence ASV
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_1nd3_A_7001

25) chain A
residue 179
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_1nd3_A_7001

26) chain A
residue 181
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence L
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_1nd3_A_7001

27) chain A
residue 184
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence L
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_1nd3_A_7001

28) chain A
residue 190-192
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence YYM
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_1nd3_A_7001

29) chain A
residue 212
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_1nd3_A_7001

30) chain A
residue 214
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_1nd3_A_7001

31) chain A
residue 217
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence L
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_1nd3_A_7001

32) chain A
residue 236
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_1nd3_A_7001

33) chain A
residue 238
type binding
ligand W11: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
sequence H
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_1nd3_A_7001


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