eF-site ID 3fk0-A
PDB Code 3fk0
Chain A

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Title E. coli EPSP synthase (TIPS mutation) liganded with S3P
Classification TRANSFERASE
Compound 3-phosphoshikimate 1-carboxyvinyltransferase
Source Escherichia coli (strain K12) (AROA_ECOLI)
Sequence A:  MESLTLQPIARVDGTINLPGSKSVSNRALLLAALAHGKTV
LTNLLDSDDVRHMLNALTALGVSYTLSADRTRCEIIGNGG
PLHAEGALELFLGNAGIAMRSLAAALCLGSNDIVLTGEPR
MKERPIGHLVDALRLGGAKITYLEQENYPPLRLQGGFTGG
NVDVDGSVSSQFLTALLMTAPLAPEDTVIRIKGDLVSKPY
IDITLNLMKTFGVEIENQHYQQFVVKGGQSYQSPGTYLVE
GDASSASYFLAAAAIKGGTVKVTGIGRNSMQGDIRFADVL
EKMGATICWGDDYISCTRGELNAIDMDMNHIPDAAMTIAT
AALFAKGTTTLRNIYNWRVKETDRLFAMATELRKVGAEVE
EGHDYIRITPPEKLNFAEIATYNDHRMAMCFSLVALSDTP
VTILDPKCTAKTFPDYFEQLARISQAA
Description (1)  3-phosphoshikimate 1-carboxyvinyltransferase (E.C.2.5.1.19)


Functional site

1) chain A
residue 22
type
ligand
sequence K
description BINDING SITE FOR RESIDUE S3P A 428
source : AC1

2) chain A
residue 23
type
ligand
sequence S
description BINDING SITE FOR RESIDUE S3P A 428
source : AC1

3) chain A
residue 27
type
ligand
sequence R
description BINDING SITE FOR RESIDUE S3P A 428
source : AC1

4) chain A
residue 97
type
ligand
sequence I
description BINDING SITE FOR RESIDUE S3P A 428
source : AC1

5) chain A
residue 169
type
ligand
sequence S
description BINDING SITE FOR RESIDUE S3P A 428
source : AC1

6) chain A
residue 170
type
ligand
sequence S
description BINDING SITE FOR RESIDUE S3P A 428
source : AC1

7) chain A
residue 171
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE S3P A 428
source : AC1

8) chain A
residue 197
type
ligand
sequence S
description BINDING SITE FOR RESIDUE S3P A 428
source : AC1

9) chain A
residue 200
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE S3P A 428
source : AC1

10) chain A
residue 313
type
ligand
sequence D
description BINDING SITE FOR RESIDUE S3P A 428
source : AC1

11) chain A
residue 336
type
ligand
sequence N
description BINDING SITE FOR RESIDUE S3P A 428
source : AC1

12) chain A
residue 340
type
ligand
sequence K
description BINDING SITE FOR RESIDUE S3P A 428
source : AC1

13) chain A
residue 380
type
ligand
sequence A
description BINDING SITE FOR RESIDUE FMT A 429
source : AC2

14) chain A
residue 382
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE FMT A 429
source : AC2

15) chain A
residue 22
type
ligand
sequence K
description BINDING SITE FOR RESIDUE FMT A 430
source : AC3

16) chain A
residue 313
type
ligand
sequence D
description BINDING SITE FOR RESIDUE FMT A 430
source : AC3

17) chain A
residue 341
type
ligand
sequence E
description BINDING SITE FOR RESIDUE FMT A 430
source : AC3

18) chain A
residue 344
type
ligand
sequence R
description BINDING SITE FOR RESIDUE FMT A 430
source : AC3

19) chain A
residue 385
type
ligand
sequence H
description BINDING SITE FOR RESIDUE FMT A 430
source : AC3

20) chain A
residue 386
type
ligand
sequence R
description BINDING SITE FOR RESIDUE FMT A 430
source : AC3

21) chain A
residue 373
type
ligand
sequence K
description BINDING SITE FOR RESIDUE FMT A 431
source : AC4

22) chain A
residue 374
type
ligand
sequence L
description BINDING SITE FOR RESIDUE FMT A 431
source : AC4

23) chain A
residue 397
type
ligand
sequence S
description BINDING SITE FOR RESIDUE FMT A 431
source : AC4

24) chain A
residue 398
type
ligand
sequence D
description BINDING SITE FOR RESIDUE FMT A 431
source : AC4

25) chain A
residue 65
type
ligand
sequence T
description BINDING SITE FOR RESIDUE FMT A 432
source : AC5

26) chain A
residue 66
type
ligand
sequence L
description BINDING SITE FOR RESIDUE FMT A 432
source : AC5

27) chain A
residue 67
type
ligand
sequence S
description BINDING SITE FOR RESIDUE FMT A 432
source : AC5

28) chain A
residue 72
type
ligand
sequence R
description BINDING SITE FOR RESIDUE FMT A 432
source : AC5

29) chain A
residue 298
type
ligand
sequence R
description BINDING SITE FOR RESIDUE FMT A 433
source : AC6

30) chain A
residue 300
type
ligand
sequence E
description BINDING SITE FOR RESIDUE FMT A 433
source : AC6

31) chain A
residue 301
type
ligand
sequence L
description BINDING SITE FOR RESIDUE FMT A 433
source : AC6

32) chain A
residue 324
type
ligand
sequence F
description BINDING SITE FOR RESIDUE FMT A 433
source : AC6

33) chain A
residue 58
type
ligand
sequence T
description BINDING SITE FOR RESIDUE FMT A 434
source : AC7

34) chain A
residue 62
type
ligand
sequence V
description BINDING SITE FOR RESIDUE FMT A 434
source : AC7

35) chain A
residue 63
type
ligand
sequence S
description BINDING SITE FOR RESIDUE FMT A 434
source : AC7

36) chain A
residue 64
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE FMT A 434
source : AC7

37) chain A
residue 5
type
ligand
sequence T
description BINDING SITE FOR RESIDUE FMT A 435
source : AC8

38) chain A
residue 143
type
ligand
sequence L
description BINDING SITE FOR RESIDUE FMT A 435
source : AC8

39) chain A
residue 152
type
ligand
sequence R
description BINDING SITE FOR RESIDUE FMT A 435
source : AC8

40) chain A
residue 376
type
ligand
sequence F
description BINDING SITE FOR RESIDUE FMT A 435
source : AC8

41) chain A
residue 402
type
ligand
sequence T
description BINDING SITE FOR RESIDUE FMT A 435
source : AC8

42) chain A
residue 38
type
ligand
sequence K
description BINDING SITE FOR RESIDUE FMT A 437
source : BC1

43) chain A
residue 363
type
ligand
sequence H
description BINDING SITE FOR RESIDUE FMT A 437
source : BC1

44) chain A
residue 313
type ACT_SITE
ligand
sequence D
description Proton acceptor. {ECO:0000255|HAMAP- Rule:MF_00210, ECO:0000269|PubMed:11171958, ECO:0000269|PubMed:12430021, ECO:0000269|PubMed:15736934, ECO:0000269|PubMed:16225867, ECO:0000269|PubMed:17855366, ECO:0000269|PubMed:17958399, ECO:0000269|PubMed:19211556}.
source Swiss-Prot : SWS_FT_FI1

45) chain A
residue 341
type ACT_SITE
ligand
sequence E
description Proton donor. {ECO:0000255|HAMAP- Rule:MF_00210, ECO:0000269|PubMed:15736934, ECO:0000305|PubMed:11171958}.
source Swiss-Prot : SWS_FT_FI2

46) chain A
residue 340
type BINDING
ligand
sequence K
description Shikimate-3-phosphate. {ECO:0000255|HAMAP-Rule:MF_00210, ECO:0000269|PubMed:11171958, ECO:0000269|PubMed:12430021, ECO:0000269|PubMed:13129913, ECO:0000269|PubMed:15736934, ECO:0000269|PubMed:16225867, ECO:0000269|PubMed:17855366, ECO:0000269|PubMed:17958399, ECO:0000269|PubMed:19211556}.
source Swiss-Prot : SWS_FT_FI3

47) chain A
residue 27
type BINDING
ligand
sequence R
description Shikimate-3-phosphate. {ECO:0000255|HAMAP-Rule:MF_00210, ECO:0000269|PubMed:11171958, ECO:0000269|PubMed:12430021, ECO:0000269|PubMed:13129913, ECO:0000269|PubMed:15736934, ECO:0000269|PubMed:17855366, ECO:0000269|PubMed:17958399, ECO:0000269|PubMed:19211556}.
source Swiss-Prot : SWS_FT_FI4

48) chain A
residue 197
type BINDING
ligand
sequence S
description Shikimate-3-phosphate. {ECO:0000255|HAMAP-Rule:MF_00210, ECO:0000269|PubMed:11171958, ECO:0000269|PubMed:12430021, ECO:0000269|PubMed:13129913, ECO:0000269|PubMed:15736934, ECO:0000269|PubMed:17855366, ECO:0000269|PubMed:17958399, ECO:0000269|PubMed:19211556}.
source Swiss-Prot : SWS_FT_FI4

49) chain A
residue 336
type BINDING
ligand
sequence N
description Shikimate-3-phosphate. {ECO:0000255|HAMAP-Rule:MF_00210, ECO:0000269|PubMed:11171958, ECO:0000269|PubMed:12430021, ECO:0000269|PubMed:13129913, ECO:0000269|PubMed:15736934, ECO:0000269|PubMed:17855366, ECO:0000269|PubMed:17958399, ECO:0000269|PubMed:19211556}.
source Swiss-Prot : SWS_FT_FI4

50) chain A
residue 124
type BINDING
ligand
sequence R
description Phosphoenolpyruvate. {ECO:0000255|HAMAP- Rule:MF_00210, ECO:0000269|PubMed:11171958, ECO:0000269|PubMed:16225867, ECO:0000269|PubMed:17855366, ECO:0000269|PubMed:19211556}.
source Swiss-Prot : SWS_FT_FI5

51) chain A
residue 344
type BINDING
ligand
sequence R
description Phosphoenolpyruvate. {ECO:0000255|HAMAP- Rule:MF_00210, ECO:0000269|PubMed:11171958, ECO:0000269|PubMed:16225867, ECO:0000269|PubMed:17855366, ECO:0000269|PubMed:19211556}.
source Swiss-Prot : SWS_FT_FI5

52) chain A
residue 386
type BINDING
ligand
sequence R
description Phosphoenolpyruvate. {ECO:0000255|HAMAP- Rule:MF_00210, ECO:0000269|PubMed:11171958, ECO:0000269|PubMed:16225867, ECO:0000269|PubMed:17855366, ECO:0000269|PubMed:19211556}.
source Swiss-Prot : SWS_FT_FI5

53) chain A
residue 411
type BINDING
ligand
sequence K
description Phosphoenolpyruvate. {ECO:0000255|HAMAP- Rule:MF_00210, ECO:0000269|PubMed:11171958, ECO:0000269|PubMed:16225867, ECO:0000269|PubMed:17855366, ECO:0000269|PubMed:19211556}.
source Swiss-Prot : SWS_FT_FI5

54) chain A
residue 408
type SITE
ligand
sequence C
description Modified by bromopyruvate. {ECO:0000269|PubMed:11171958}.
source Swiss-Prot : SWS_FT_FI6

55) chain A
residue 411
type SITE
ligand
sequence K
description Modified by bromopyruvate. {ECO:0000269|PubMed:11171958}.
source Swiss-Prot : SWS_FT_FI6

56) chain A
residue 338-356
type prosite
ligand
sequence RVKETDRLFAMATELRKVG
description EPSP synthase signature 2. [KR]-x-[KH]-E-[CSTVI]-[DNE]-R-[LIVMY]-x-[GSTAVLD]-[LIVMCTF]-x(3)
source prosite : PS00885

57) chain A
residue 90-104
type prosite
ligand
sequence LFLGNAGIAMRSLAA
description EPSP synthase signature 1. [LIVF]-{LV}-x-[GANQK]-[NLG]-[SA]-[GA]-[TAI]-[STAGV]-{N}-R-x-[LIVMFYAT]-x
source prosite : PS00104

58) chain A
residue 22
type binding
ligand FMT: FORMIC ACID
sequence K
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_430

59) chain A
residue 313
type binding
ligand FMT: FORMIC ACID
sequence D
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_430

60) chain A
residue 341
type binding
ligand FMT: FORMIC ACID
sequence E
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_430

61) chain A
residue 344
type binding
ligand FMT: FORMIC ACID
sequence R
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_430

62) chain A
residue 385-386
type binding
ligand FMT: FORMIC ACID
sequence HR
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_430

63) chain A
residue 411-412
type binding
ligand FMT: FORMIC ACID
sequence KT
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_430

64) chain A
residue 22-23
type binding
ligand S3P: SHIKIMATE-3-PHOSPHATE
sequence KS
description SHIKIMATE-3-PHOSPHATE binding site
source pdb_hetatom : S3P_3fk0_A_428

65) chain A
residue 27
type binding
ligand S3P: SHIKIMATE-3-PHOSPHATE
sequence R
description SHIKIMATE-3-PHOSPHATE binding site
source pdb_hetatom : S3P_3fk0_A_428

66) chain A
residue 97
type binding
ligand S3P: SHIKIMATE-3-PHOSPHATE
sequence I
description SHIKIMATE-3-PHOSPHATE binding site
source pdb_hetatom : S3P_3fk0_A_428

67) chain A
residue 168-171
type binding
ligand S3P: SHIKIMATE-3-PHOSPHATE
sequence VSSQ
description SHIKIMATE-3-PHOSPHATE binding site
source pdb_hetatom : S3P_3fk0_A_428

68) chain A
residue 174
type binding
ligand S3P: SHIKIMATE-3-PHOSPHATE
sequence T
description SHIKIMATE-3-PHOSPHATE binding site
source pdb_hetatom : S3P_3fk0_A_428

69) chain A
residue 196-197
type binding
ligand S3P: SHIKIMATE-3-PHOSPHATE
sequence VS
description SHIKIMATE-3-PHOSPHATE binding site
source pdb_hetatom : S3P_3fk0_A_428

70) chain A
residue 200
type binding
ligand S3P: SHIKIMATE-3-PHOSPHATE
sequence Y
description SHIKIMATE-3-PHOSPHATE binding site
source pdb_hetatom : S3P_3fk0_A_428

71) chain A
residue 312-313
type binding
ligand S3P: SHIKIMATE-3-PHOSPHATE
sequence PD
description SHIKIMATE-3-PHOSPHATE binding site
source pdb_hetatom : S3P_3fk0_A_428

72) chain A
residue 336
type binding
ligand S3P: SHIKIMATE-3-PHOSPHATE
sequence N
description SHIKIMATE-3-PHOSPHATE binding site
source pdb_hetatom : S3P_3fk0_A_428

73) chain A
residue 340-341
type binding
ligand S3P: SHIKIMATE-3-PHOSPHATE
sequence KE
description SHIKIMATE-3-PHOSPHATE binding site
source pdb_hetatom : S3P_3fk0_A_428

74) chain A
residue 344
type binding
ligand S3P: SHIKIMATE-3-PHOSPHATE
sequence R
description SHIKIMATE-3-PHOSPHATE binding site
source pdb_hetatom : S3P_3fk0_A_428

75) chain A
residue 386
type binding
ligand S3P: SHIKIMATE-3-PHOSPHATE
sequence R
description SHIKIMATE-3-PHOSPHATE binding site
source pdb_hetatom : S3P_3fk0_A_428

76) chain A
residue 58
type binding
ligand FMT: FORMIC ACID
sequence T
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_434

77) chain A
residue 62-64
type binding
ligand FMT: FORMIC ACID
sequence VSY
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_434

78) chain A
residue 65-67
type binding
ligand FMT: FORMIC ACID
sequence TLS
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_432

79) chain A
residue 72-74
type binding
ligand FMT: FORMIC ACID
sequence RCE
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_432

80) chain A
residue 66-68
type binding
ligand FMT: FORMIC ACID
sequence LSA
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_436

81) chain A
residue 72
type binding
ligand FMT: FORMIC ACID
sequence R
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_436

82) chain A
residue 141
type binding
ligand FMT: FORMIC ACID
sequence T
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_435

83) chain A
residue 143
type binding
ligand FMT: FORMIC ACID
sequence L
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_435

84) chain A
residue 152
type binding
ligand FMT: FORMIC ACID
sequence R
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_435

85) chain A
residue 154
type binding
ligand FMT: FORMIC ACID
sequence Q
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_435

86) chain A
residue 298
type binding
ligand FMT: FORMIC ACID
sequence R
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_433

87) chain A
residue 300-302
type binding
ligand FMT: FORMIC ACID
sequence ELN
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_433

88) chain A
residue 324-326
type binding
ligand FMT: FORMIC ACID
sequence FAK
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_433

89) chain A
residue 372-374
type binding
ligand FMT: FORMIC ACID
sequence EKL
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_431

90) chain A
residue 397-399
type binding
ligand FMT: FORMIC ACID
sequence SDT
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_431

91) chain A
residue 380-383
type binding
ligand FMT: FORMIC ACID
sequence ATYN
description FORMIC ACID binding site
source pdb_hetatom : FMT_3fk0_A_429

92) chain A
residue 22
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1g6t
source CSA : CSA1

93) chain A
residue 313
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1g6t
source CSA : CSA1

94) chain A
residue 411
type catalytic
ligand
sequence K
description Annotated By Reference To The Literature 1g6t
source CSA : CSA1

95) chain A
residue 385
type catalytic
ligand
sequence H
description Annotated By Reference To The Literature 1g6t
source CSA : CSA1

96) chain A
residue 341
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 1g6t
source CSA : CSA1


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