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

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Title Structure of beta-glycosidase from Sulfolobus solfataricus in complex with 2-deoxy-2-fluoro-glucose
Classification HYDROLASE
Compound BETA-GALACTOSIDASE
Source Sulfolobus solfataricus (strain ATCC 35092 / DSM 1617 / JCM 11322 / P2) (BGAM_SULSO)
Sequence A:  MYSFPNSFRFGWSQAGFQSEMGTPGSEDPNTDWYKWVHDP
ENMAAGLVSGDLPENGPGYWGNYKTFHDNAQKMGLKIARL
NVEWSRIFPNPLPRPFDESKQDVTEVEINENELKRLDEYA
NKDALNHYREIFKDLKSRGLYFILNMYHWPLPLWLHDPIR
VRRGDFTGPSGWLSTRTVYEFARFSAYIAWKFDDLVDEYS
TMNEPNVVGGLGYVGVKSGFPPGYLSFELSRRAMYNIIQA
HARAYDGIKSVSKKPVGIIYANSSFQPLTDKDMEAVEMAE
NDNRWWFFDAIIRGEITKIVRDDLKGRLDWIGVNYYTRTV
VKRTEKGYVSLGGYGHGCERNSVSLAGLPTSDFGWEFFPE
GLYDVLTKYWNRYHLYMYVTENGIADDADYQRPYYLVSHV
YQVHRAINSGADVRGYLHWSLADNYEWASGFSMRFGLLKV
DYNTKRLYWRPSALVYREIATNGAITDEIEHLNSVPPVKP
LRH
Description (1)  BETA-GALACTOSIDASE (E.C.3.2.1.23)


Functional site

1) chain A
residue 18
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE G2F B 1490
source : AC2

2) chain A
residue 150
type
ligand
sequence H
description BINDING SITE FOR RESIDUE G2F B 1490
source : AC2

3) chain A
residue 205
type
ligand
sequence N
description BINDING SITE FOR RESIDUE G2F B 1490
source : AC2

4) chain A
residue 206
type
ligand
sequence E
description BINDING SITE FOR RESIDUE G2F B 1490
source : AC2

5) chain A
residue 322
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE G2F B 1490
source : AC2

6) chain A
residue 361
type
ligand
sequence W
description BINDING SITE FOR RESIDUE G2F B 1490
source : AC2

7) chain A
residue 387
type
ligand
sequence E
description BINDING SITE FOR RESIDUE G2F B 1490
source : AC2

8) chain A
residue 425
type
ligand
sequence W
description BINDING SITE FOR RESIDUE G2F B 1490
source : AC2

9) chain A
residue 432
type
ligand
sequence E
description BINDING SITE FOR RESIDUE G2F B 1490
source : AC2

10) chain A
residue 433
type
ligand
sequence W
description BINDING SITE FOR RESIDUE G2F B 1490
source : AC2

11) chain A
residue 441
type
ligand
sequence F
description BINDING SITE FOR RESIDUE G2F B 1490
source : AC2

12) chain A
residue 410
type
ligand
sequence H
description BINDING SITE FOR RESIDUE ACT A 1491
source : AC3

13) chain A
residue 411
type
ligand
sequence R
description BINDING SITE FOR RESIDUE ACT A 1491
source : AC3

14) chain A
residue 387
type ACT_SITE
ligand
sequence E
description Nucleophile. {ECO:0000255|PROSITE- ProRule:PRU10055}.
source Swiss-Prot : SWS_FT_FI1

15) chain A
residue 206
type ACT_SITE
ligand
sequence E
description Proton donor. {ECO:0000255}.
source Swiss-Prot : SWS_FT_FI2

16) chain A
residue 76
type SITE
ligand
sequence K
description Not N6-methylated.
source Swiss-Prot : SWS_FT_FI3

17) chain A
residue 102
type SITE
ligand
sequence K
description Not N6-methylated.
source Swiss-Prot : SWS_FT_FI3

18) chain A
residue 124
type SITE
ligand
sequence K
description Not N6-methylated.
source Swiss-Prot : SWS_FT_FI3

19) chain A
residue 138
type SITE
ligand
sequence K
description Not N6-methylated.
source Swiss-Prot : SWS_FT_FI3

20) chain A
residue 383-391
type prosite
ligand
sequence MYVTENGIA
description Glycosyl hydrolases family 1 active site. [LIVMFSTC]-[LIVFYS]-[LIV]-[LIVMST]-E-N-G-[LIVMFAR]-[CSAGN]
source prosite : PS00572

21) chain A
residue 8-22
type prosite
ligand
sequence FRFGWSQAGFQSEMG
description Glycosyl hydrolases family 1 N-terminal signature. F-x-[FYWM]-[GSTA]-x-[GSTA]-x-[GSTA](2)-[FYNH]-[NQ]-x-E-x-[GSTA]
source prosite : PS00653

22) chain A
residue 2
type binding
ligand ACT: ACETATE ION
sequence Y
description ACETATE ION binding site
source pdb_hetatom : ACT_1uws_A_1491

23) chain A
residue 407
type binding
ligand ACT: ACETATE ION
sequence Y
description ACETATE ION binding site
source pdb_hetatom : ACT_1uws_A_1491

24) chain A
residue 410-411
type binding
ligand ACT: ACETATE ION
sequence HR
description ACETATE ION binding site
source pdb_hetatom : ACT_1uws_A_1491

25) chain A
residue 414
type binding
ligand ACT: ACETATE ION
sequence N
description ACETATE ION binding site
source pdb_hetatom : ACT_1uws_A_1491

26) chain A
residue 15
type binding
ligand G2F: 2-deoxy-2-fluoro-alpha-D-glucopyranose
sequence A
description 2-deoxy-2-fluoro-alpha-D-glucopyranose binding site
source pdb_hetatom : G2F_1uws_B_1490

27) chain A
residue 18
type binding
ligand G2F: 2-deoxy-2-fluoro-alpha-D-glucopyranose
sequence Q
description 2-deoxy-2-fluoro-alpha-D-glucopyranose binding site
source pdb_hetatom : G2F_1uws_B_1490

28) chain A
residue 150-151
type binding
ligand G2F: 2-deoxy-2-fluoro-alpha-D-glucopyranose
sequence HW
description 2-deoxy-2-fluoro-alpha-D-glucopyranose binding site
source pdb_hetatom : G2F_1uws_B_1490

29) chain A
residue 205-206
type binding
ligand G2F: 2-deoxy-2-fluoro-alpha-D-glucopyranose
sequence NE
description 2-deoxy-2-fluoro-alpha-D-glucopyranose binding site
source pdb_hetatom : G2F_1uws_B_1490

30) chain A
residue 320
type binding
ligand G2F: 2-deoxy-2-fluoro-alpha-D-glucopyranose
sequence N
description 2-deoxy-2-fluoro-alpha-D-glucopyranose binding site
source pdb_hetatom : G2F_1uws_B_1490

31) chain A
residue 322
type binding
ligand G2F: 2-deoxy-2-fluoro-alpha-D-glucopyranose
sequence Y
description 2-deoxy-2-fluoro-alpha-D-glucopyranose binding site
source pdb_hetatom : G2F_1uws_B_1490

32) chain A
residue 359
type binding
ligand G2F: 2-deoxy-2-fluoro-alpha-D-glucopyranose
sequence F
description 2-deoxy-2-fluoro-alpha-D-glucopyranose binding site
source pdb_hetatom : G2F_1uws_B_1490

33) chain A
residue 361
type binding
ligand G2F: 2-deoxy-2-fluoro-alpha-D-glucopyranose
sequence W
description 2-deoxy-2-fluoro-alpha-D-glucopyranose binding site
source pdb_hetatom : G2F_1uws_B_1490

34) chain A
residue 387
type binding
ligand G2F: 2-deoxy-2-fluoro-alpha-D-glucopyranose
sequence E
description 2-deoxy-2-fluoro-alpha-D-glucopyranose binding site
source pdb_hetatom : G2F_1uws_B_1490

35) chain A
residue 425
type binding
ligand G2F: 2-deoxy-2-fluoro-alpha-D-glucopyranose
sequence W
description 2-deoxy-2-fluoro-alpha-D-glucopyranose binding site
source pdb_hetatom : G2F_1uws_B_1490

36) chain A
residue 430
type binding
ligand G2F: 2-deoxy-2-fluoro-alpha-D-glucopyranose
sequence N
description 2-deoxy-2-fluoro-alpha-D-glucopyranose binding site
source pdb_hetatom : G2F_1uws_B_1490

37) chain A
residue 432-433
type binding
ligand G2F: 2-deoxy-2-fluoro-alpha-D-glucopyranose
sequence EW
description 2-deoxy-2-fluoro-alpha-D-glucopyranose binding site
source pdb_hetatom : G2F_1uws_B_1490

38) chain A
residue 441
type binding
ligand G2F: 2-deoxy-2-fluoro-alpha-D-glucopyranose
sequence F
description 2-deoxy-2-fluoro-alpha-D-glucopyranose binding site
source pdb_hetatom : G2F_1uws_B_1490

39) chain A
residue 206
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 1cbg
source CSA : CSA1

40) chain A
residue 320
type catalytic
ligand
sequence N
description Annotated By Reference To The Literature 1cbg
source CSA : CSA1

41) chain A
residue 387
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 1cbg
source CSA : CSA1

42) chain A
residue 206
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 1cbg
source CSA : CSA3

43) chain A
residue 387
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 1cbg
source CSA : CSA3


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