eF-site ID 2htw-A
PDB Code 2htw
Chain A

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Title N4 neuraminidase in complex with DANA
Classification HYDROLASE
Compound Neuraminidase
Source ORGANISM_SCIENTIFIC: Influenza A virus;
Sequence A:  VIHYSSGKDLCPVKGWAPLSKDNGIRIGSRGEVFVIREPF
ISCSINECRTFFLTQGALLNDKHSNGTVKDRSPFRTLMSC
PIGVAPSPSNSRFESVAWSATACSDGPGWLTIGITGPDAT
AVAVLKYNGIITDTLKSWKGNIMRTQESECVCQDEFCYTL
ITDGPSDAQAFYKILKIKKGKIVSVKDVDAPGFHFEECSC
YPSGENVECVCRDNWRGSNRPWIRFNSDLDYQIGYVCSGV
FGDNPRPMDSTGSCNSPINNGKGRYGVKGFSFRYGDGVWI
GRTKSLESRSGFEMVWDANGWVSTDKDSNGVQDIIDNDNW
SGYSGSFSIRGETTGRNCTVPCFWVEMIRGQPKEKTIWTS
GSSIAFCGVNSDTTGWSWPDGALLPFDI
Description (1)  Neuraminidase


Functional site

1) chain A
residue 119
type
ligand
sequence E
description BINDING SITE FOR RESIDUE DAN A 1850
source : AC1

2) chain A
residue 151
type
ligand
sequence D
description BINDING SITE FOR RESIDUE DAN A 1850
source : AC1

3) chain A
residue 152
type
ligand
sequence R
description BINDING SITE FOR RESIDUE DAN A 1850
source : AC1

4) chain A
residue 178
type
ligand
sequence W
description BINDING SITE FOR RESIDUE DAN A 1850
source : AC1

5) chain A
residue 224
type
ligand
sequence R
description BINDING SITE FOR RESIDUE DAN A 1850
source : AC1

6) chain A
residue 276
type
ligand
sequence E
description BINDING SITE FOR RESIDUE DAN A 1850
source : AC1

7) chain A
residue 277
type
ligand
sequence E
description BINDING SITE FOR RESIDUE DAN A 1850
source : AC1

8) chain A
residue 292
type
ligand
sequence R
description BINDING SITE FOR RESIDUE DAN A 1850
source : AC1

9) chain A
residue 294
type
ligand
sequence N
description BINDING SITE FOR RESIDUE DAN A 1850
source : AC1

10) chain A
residue 347
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE DAN A 1850
source : AC1

11) chain A
residue 371
type
ligand
sequence R
description BINDING SITE FOR RESIDUE DAN A 1850
source : AC1

12) chain A
residue 406
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE DAN A 1850
source : AC1

13) chain A
residue 243
type METAL
ligand
sequence D
description Calcium
source Swiss-Prot : SWS_FT_FI1

14) chain A
residue 213
type METAL
ligand
sequence D
description Calcium; via carbonyl oxygen
source Swiss-Prot : SWS_FT_FI2

15) chain A
residue 217
type METAL
ligand
sequence S
description Calcium; via carbonyl oxygen
source Swiss-Prot : SWS_FT_FI2

16) chain A
residue 263
type METAL
ligand
sequence V
description Calcium; via carbonyl oxygen
source Swiss-Prot : SWS_FT_FI2

17) chain A
residue 264
type METAL
ligand
sequence S
description Calcium; via carbonyl oxygen
source Swiss-Prot : SWS_FT_FI2

18) chain A
residue 265
type METAL
ligand
sequence V
description Calcium; via carbonyl oxygen
source Swiss-Prot : SWS_FT_FI2

19) chain A
residue 388
type BINDING
ligand
sequence K
description N-acetyl-D-glucosamine; via carbonyl oxygen.
source Swiss-Prot : SWS_FT_FI3

20) chain A
residue 357
type BINDING
ligand
sequence G
description N-acetyl-D-glucosamine.
source Swiss-Prot : SWS_FT_FI4

21) chain A
residue 118-119
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence RE
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

22) chain A
residue 151-152
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence DR
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

23) chain A
residue 156
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence R
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

24) chain A
residue 178-179
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence WS
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

25) chain A
residue 222
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence I
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

26) chain A
residue 224
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence R
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

27) chain A
residue 227
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence E
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

28) chain A
residue 246
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence S
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

29) chain A
residue 276-277
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence EE
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

30) chain A
residue 292
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence R
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

31) chain A
residue 294
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence N
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

32) chain A
residue 347
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence Y
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

33) chain A
residue 371
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence R
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

34) chain A
residue 406
type binding
ligand DAN: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
sequence Y
description 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID binding site
source pdb_hetatom : DAN_2htw_A_1850

35) chain A
residue 151
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1a4g
source CSA : CSA1

36) chain A
residue 277
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 1a4g
source CSA : CSA1


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