eF-site ID 5cuq-B
PDB Code 5cuq
Chain B

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Title Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase
Classification Viral protein/Inhibitor
Compound Nonstructural protein NS5
Source (C0LMU0_9FLAV)
Sequence B:  GETLGEKWKKKLNQLSRKEFDLYKKSGITEVDRTEAKEGL
KRGETTHHAVSRGSAKLQWFVERNMVIPEGRVIDLGCGRG
GWSYYCAGLKKVTEVRGYTKGGPGHEEPVPMSTYGWNIVK
LMSGKDVFYLPPEKCDTLLCDIGESSPSPTVEESRTIRVL
KMVEPWLKNNQFCIKVLNPYMPTVIEHLERLQRKHGGMLV
RNPLSRNSTHEMYWISNGTGNIVSSVNMVSRLLLNRFTMT
HRRPTIEKDVDLGAGTR
Description (1)  Nonstructural protein NS5


Functional site

1) chain B
residue 81
type
ligand
sequence G
description binding site for residue NSC B 301
source : AC2

2) chain B
residue 104
type
ligand
sequence T
description binding site for residue NSC B 301
source : AC2

3) chain B
residue 105
type
ligand
sequence K
description binding site for residue NSC B 301
source : AC2

4) chain B
residue 109
type
ligand
sequence G
description binding site for residue NSC B 301
source : AC2

5) chain B
residue 110
type
ligand
sequence H
description binding site for residue NSC B 301
source : AC2

6) chain B
residue 111
type
ligand
sequence E
description binding site for residue NSC B 301
source : AC2

7) chain B
residue 131
type
ligand
sequence D
description binding site for residue NSC B 301
source : AC2

8) chain B
residue 132
type
ligand
sequence V
description binding site for residue NSC B 301
source : AC2

9) chain B
residue 133
type
ligand
sequence F
description binding site for residue NSC B 301
source : AC2

10) chain B
residue 81-83
type binding
ligand NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
sequence GCG
description N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA binding site
source pdb_hetatom : NSC_5cuq_B_301

11) chain B
residue 103-105
type binding
ligand NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
sequence YTK
description N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA binding site
source pdb_hetatom : NSC_5cuq_B_301

12) chain B
residue 109-111
type binding
ligand NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
sequence GHE
description N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA binding site
source pdb_hetatom : NSC_5cuq_B_301

13) chain B
residue 130-133
type binding
ligand NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
sequence KDVF
description N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA binding site
source pdb_hetatom : NSC_5cuq_B_301

14) chain B
residue 147-149
type binding
ligand NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
sequence IGE
description N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA binding site
source pdb_hetatom : NSC_5cuq_B_301


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