eF-site ID 5cgt-A
PDB Code 5cgt
Chain A

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Title MALTOTRIOSE COMPLEX OF PRECONDITIONED CYCLODEXTRIN GLYCOSYLTRANSFERASE MUTANT
Classification GLYCOSYLTRANSFERASE
Compound CYCLODEXTRIN GLYCOSYLTRANSFERASE
Source Bacillus circulans (CDGT_BACCI)
Sequence A:  DPDTAVTNKQSFSTDVIYQVFTDRFLDGNPSNNPTGAAYD
ATCSNLKLYCGGDWQGLINKINDNYFSDLGVTALWISQPV
ENIFATINYSGVTNTAYHGYWARDFKKTNPYFGTMADFQN
LITTAHAKGIKIVIDFAPNHTSPAMETDTSFAENGRLYDN
GTLVGGYTNDTNGYFHHNGGSDFSSLENGIYKNLYDLADF
NHNNATIDKYFKDAIKLWLDMGVDGIRVAAVKHMPLGWQK
SWMSSIYAHKPVFTFGEWFLGSAASDADNTDFANKSGMSL
LDFRFNSAVRNVFRDNTSNMYALDSMINSTATDYNQVNDQ
VTFIDNHDMDRFKTSAVNNRRLEQALAFTLTSRGVPAIYY
GTEQYLTGNGDPDNRAKMPSFSKSTTAFNVISKLAPLRKS
NPAIAYGSTQQRWINNDVYVYERKFGKSVAVVAVNRNLST
SASITGLSTSLPTGSYTDVLGGVLNGNNITSTNGSINNFT
LAAGATAVWQYTTAETTPTIGHVGPVMGKPGNVVTIDGRG
FGSTKGTVYFGTTAVTGAAITSWEDTQIKVTIPSVAAGNY
AVKVAASGVNSNAYNNFTILTGDQVTVRFVVNNASTTLGQ
NLYLTGNVAELGNWSTGSTAIGPAFNQVIHQYPTWYYDVS
VPAGKQLEFKFFKKNGSTITWESGSNHTFTTPASGTATVT
VNWQ
Description (1)  CYCLODEXTRIN GLYCOSYLTRANSFERASE


Functional site

1) chain A
residue 158
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE GLC A 707
source : AC1

2) chain A
residue 161
type
ligand
sequence G
description BINDING SITE FOR RESIDUE GLC A 707
source : AC1

3) chain A
residue 614
type
ligand
sequence W
description BINDING SITE FOR RESIDUE GLC A 707
source : AC1

4) chain A
residue 666
type
ligand
sequence N
description BINDING SITE FOR RESIDUE GLC A 707
source : AC1

5) chain A
residue 650
type
ligand
sequence K
description BINDING SITE FOR RESIDUE BGC A 708
source : AC2

6) chain A
residue 661
type
ligand
sequence W
description BINDING SITE FOR RESIDUE BGC A 708
source : AC2

7) chain A
residue 662
type
ligand
sequence E
description BINDING SITE FOR RESIDUE BGC A 708
source : AC2

8) chain A
residue 100
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE BGC A 709
source : AC3

9) chain A
residue 140
type
ligand
sequence H
description BINDING SITE FOR RESIDUE BGC A 709
source : AC3

10) chain A
residue 227
type
ligand
sequence R
description BINDING SITE FOR RESIDUE BGC A 709
source : AC3

11) chain A
residue 229
type
ligand
sequence A
description BINDING SITE FOR RESIDUE BGC A 709
source : AC3

12) chain A
residue 230
type
ligand
sequence A
description BINDING SITE FOR RESIDUE BGC A 709
source : AC3

13) chain A
residue 257
type
ligand
sequence E
description BINDING SITE FOR RESIDUE BGC A 709
source : AC3

14) chain A
residue 327
type
ligand
sequence H
description BINDING SITE FOR RESIDUE BGC A 709
source : AC3

15) chain A
residue 328
type
ligand
sequence D
description BINDING SITE FOR RESIDUE BGC A 709
source : AC3

16) chain A
residue 100
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE GLC A 710
source : AC4

17) chain A
residue 101
type
ligand
sequence W
description BINDING SITE FOR RESIDUE GLC A 710
source : AC4

18) chain A
residue 371
type
ligand
sequence D
description BINDING SITE FOR RESIDUE GLC A 710
source : AC4

19) chain A
residue 375
type
ligand
sequence R
description BINDING SITE FOR RESIDUE GLC A 710
source : AC4

20) chain A
residue 195
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE GLC A 711
source : AC5

21) chain A
residue 230
type
ligand
sequence A
description BINDING SITE FOR RESIDUE GLC A 711
source : AC5

22) chain A
residue 233
type
ligand
sequence H
description BINDING SITE FOR RESIDUE GLC A 711
source : AC5

23) chain A
residue 257
type
ligand
sequence E
description BINDING SITE FOR RESIDUE GLC A 711
source : AC5

24) chain A
residue 328
type
ligand
sequence D
description BINDING SITE FOR RESIDUE GLC A 711
source : AC5

25) chain A
residue 139
type
ligand
sequence N
description BINDING SITE FOR RESIDUE CA A 685
source : AC6

26) chain A
residue 190
type
ligand
sequence I
description BINDING SITE FOR RESIDUE CA A 685
source : AC6

27) chain A
residue 199
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CA A 685
source : AC6

28) chain A
residue 233
type
ligand
sequence H
description BINDING SITE FOR RESIDUE CA A 685
source : AC6

29) chain A
residue 27
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CA A 686
source : AC7

30) chain A
residue 29
type
ligand
sequence N
description BINDING SITE FOR RESIDUE CA A 686
source : AC7

31) chain A
residue 32
type
ligand
sequence N
description BINDING SITE FOR RESIDUE CA A 686
source : AC7

32) chain A
residue 33
type
ligand
sequence N
description BINDING SITE FOR RESIDUE CA A 686
source : AC7

33) chain A
residue 51
type
ligand
sequence G
description BINDING SITE FOR RESIDUE CA A 686
source : AC7

34) chain A
residue 53
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CA A 686
source : AC7

35) chain A
residue 111
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE CA A 686
source : AC7

36) chain A
residue 229
type ACT_SITE
ligand
sequence A
description Nucleophile (By similarity).
source Swiss-Prot : SWS_FT_FI1

37) chain A
residue 257
type ACT_SITE
ligand
sequence E
description Proton donor (By similarity).
source Swiss-Prot : SWS_FT_FI2

38) chain A
residue 29
type METAL
ligand
sequence N
description Calcium 1; via carbonyl oxygen
source Swiss-Prot : SWS_FT_FI3

39) chain A
residue 51
type METAL
ligand
sequence G
description Calcium 1; via carbonyl oxygen
source Swiss-Prot : SWS_FT_FI3

40) chain A
residue 139
type METAL
ligand
sequence N
description Calcium 2
source Swiss-Prot : SWS_FT_FI4

41) chain A
residue 199
type METAL
ligand
sequence D
description Calcium 2
source Swiss-Prot : SWS_FT_FI4

42) chain A
residue 190
type METAL
ligand
sequence I
description Calcium 2; via carbonyl oxygen
source Swiss-Prot : SWS_FT_FI5

43) chain A
residue 233
type METAL
ligand
sequence H
description Calcium 2; via carbonyl oxygen
source Swiss-Prot : SWS_FT_FI5

44) chain A
residue 27
type METAL
ligand
sequence D
description Calcium 1
source Swiss-Prot : SWS_FT_FI6

45) chain A
residue 32
type METAL
ligand
sequence N
description Calcium 1
source Swiss-Prot : SWS_FT_FI6

46) chain A
residue 33
type METAL
ligand
sequence N
description Calcium 1
source Swiss-Prot : SWS_FT_FI6

47) chain A
residue 53
type METAL
ligand
sequence D
description Calcium 1
source Swiss-Prot : SWS_FT_FI6

48) chain A
residue 227
type BINDING
ligand
sequence R
description Substrate (By similarity).
source Swiss-Prot : SWS_FT_FI7

49) chain A
residue 140
type BINDING
ligand
sequence H
description Substrate.
source Swiss-Prot : SWS_FT_FI8

50) chain A
residue 196
type BINDING
ligand
sequence D
description Substrate.
source Swiss-Prot : SWS_FT_FI8

51) chain A
residue 233
type BINDING
ligand
sequence H
description Substrate.
source Swiss-Prot : SWS_FT_FI8

52) chain A
residue 327
type BINDING
ligand
sequence H
description Substrate.
source Swiss-Prot : SWS_FT_FI8

53) chain A
residue 371
type BINDING
ligand
sequence D
description Substrate.
source Swiss-Prot : SWS_FT_FI8

54) chain A
residue 375
type BINDING
ligand
sequence R
description Substrate.
source Swiss-Prot : SWS_FT_FI8

55) chain A
residue 328
type SITE
ligand
sequence D
description Transition state stabilizer (By similarity).
source Swiss-Prot : SWS_FT_FI9

56) chain A
residue 97-98
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence YH
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_710

57) chain A
residue 100-101
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence YW
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_710

58) chain A
residue 143
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence P
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_710

59) chain A
residue 195-197
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence YDL
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_710

60) chain A
residue 327-328
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence HD
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_710

61) chain A
residue 371
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence D
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_710

62) chain A
residue 375
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence R
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_710

63) chain A
residue 100
type binding
ligand BGC: BETA-D-GLUCOSE
sequence Y
description BETA-D-GLUCOSE binding site
source pdb_hetatom : BGC_5cgt_A_709

64) chain A
residue 140
type binding
ligand BGC: BETA-D-GLUCOSE
sequence H
description BETA-D-GLUCOSE binding site
source pdb_hetatom : BGC_5cgt_A_709

65) chain A
residue 194
type binding
ligand BGC: BETA-D-GLUCOSE
sequence L
description BETA-D-GLUCOSE binding site
source pdb_hetatom : BGC_5cgt_A_709

66) chain A
residue 197
type binding
ligand BGC: BETA-D-GLUCOSE
sequence L
description BETA-D-GLUCOSE binding site
source pdb_hetatom : BGC_5cgt_A_709

67) chain A
residue 227
type binding
ligand BGC: BETA-D-GLUCOSE
sequence R
description BETA-D-GLUCOSE binding site
source pdb_hetatom : BGC_5cgt_A_709

68) chain A
residue 229-230
type binding
ligand BGC: BETA-D-GLUCOSE
sequence AA
description BETA-D-GLUCOSE binding site
source pdb_hetatom : BGC_5cgt_A_709

69) chain A
residue 257
type binding
ligand BGC: BETA-D-GLUCOSE
sequence E
description BETA-D-GLUCOSE binding site
source pdb_hetatom : BGC_5cgt_A_709

70) chain A
residue 327-328
type binding
ligand BGC: BETA-D-GLUCOSE
sequence HD
description BETA-D-GLUCOSE binding site
source pdb_hetatom : BGC_5cgt_A_709

71) chain A
residue 375
type binding
ligand BGC: BETA-D-GLUCOSE
sequence R
description BETA-D-GLUCOSE binding site
source pdb_hetatom : BGC_5cgt_A_709

72) chain A
residue 183
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence F
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_711

73) chain A
residue 194-195
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence LY
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_711

74) chain A
residue 230
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence A
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_711

75) chain A
residue 232-233
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence KH
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_711

76) chain A
residue 257
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence E
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_711

77) chain A
residue 259
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence F
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_711

78) chain A
residue 328
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence D
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_711

79) chain A
residue 614
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence W
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_707

80) chain A
residue 648
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence E
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_707

81) chain A
residue 650
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence K
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_707

82) chain A
residue 661
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence W
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_707

83) chain A
residue 666
type binding
ligand GLC: ALPHA-D-GLUCOSE
sequence N
description ALPHA-D-GLUCOSE binding site
source pdb_hetatom : GLC_5cgt_A_707

84) chain A
residue 650
type binding
ligand BGC: BETA-D-GLUCOSE
sequence K
description BETA-D-GLUCOSE binding site
source pdb_hetatom : BGC_5cgt_A_708

85) chain A
residue 661-664
type binding
ligand BGC: BETA-D-GLUCOSE
sequence WESG
description BETA-D-GLUCOSE binding site
source pdb_hetatom : BGC_5cgt_A_708

86) chain A
residue 666
type binding
ligand BGC: BETA-D-GLUCOSE
sequence N
description BETA-D-GLUCOSE binding site
source pdb_hetatom : BGC_5cgt_A_708

87) chain A
residue 328
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1cdg
source CSA : CSA1

88) chain A
residue 257
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 1cdg
source CSA : CSA1

89) chain A
residue 229
type catalytic
ligand
sequence A
description Annotated By Reference To The Literature 1cdg
source CSA : CSA1

90) chain A
residue 227
type catalytic
ligand
sequence R
description Annotated By Reference To The Literature 1cdg
source CSA : CSA1

91) chain A
residue 327
type catalytic
ligand
sequence H
description Annotated By Reference To The Literature 1cdg
source CSA : CSA1


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