eF-site ID 4h2w-ABCD
PDB Code 4h2w
Chain A, B, C, D

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Title Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and AMP
Classification LIGASE
Compound Amino acid--[acyl-carrier-protein] ligase 1
Source Bradyrhizobium diazoefficiens (strain JCM 10833 / IAM 13628 / NBRC 14792 / USDA 110) (AACP_AGRT5)
Sequence A:  DPLDHLADKLFHSMGSDGVYARTALYESIVERLAALITSH
REAGTEALRFPPVMSRAQLEKSGYLKSFPNLLGCVCGLHG
TEREINAAVSRFDAGGDWTTSLSPADLVLSPAACYPVYPI
AASRGPLPKGGLRFDVAADCFRREPSKHLDRLQSFRMREY
VCIGTPDDVSDFRERWMVRAQAIARDLGLTFRVDYASDPF
FGRAGKMLANNQRDQQLKFELLIPLRSEEQPTACMSFNYH
REHFGTTWGIQDANGEPAHTGCVAFGMDRLAVAMFHTHGT
DLSAWPAKVRDILGL
B:  ADPLDHLADKLFHSMGSDGVYARTALYESIVERLAALITS
HREAGTEALRFPPVMSRAQLEKSGYLKSFPNLLGCVCGLH
GTEREINAAVSRFDAGGDWTTSLSPADLVLSPAACYPVYP
IAASRGPLPKGGLRFDVAADCFRREPSKHLDRLQSFRMRE
YVCIGTPDDVSDFRERWMVRAQAIARDLGLTFRVDYASDP
FFGRAGKMLANNQRDQQLKFELLIPLRSEEQPTACMSFNY
HREHFGTTWGIQDANGEPAHTGCVAFGMDRLAVAMFHTHG
TDLSAWPAKVRDILGL
C:  HMNATIREILAKFGQLPTPVDTIADEADLYAAGLSSFASV
QLMLGIEEAFDIEFPDNLLNRKSFASIKAIEDTVKLIL
D:  MNATIREILAKFGQLPTPVDTIADEADLYAAGLSSFASVQ
LMLGIEEAFDIEFPDNLLNRKSFASIKAIEDTVKL
Description (1)  Amino acid--[acyl-carrier-protein] ligase 1 (E.C.6.2.1.-), Aminoacyl carrier protein


Functional site

1) chain A
residue 131
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 401
source : AC1

2) chain A
residue 176
type
sequence E
description BINDING SITE FOR RESIDUE ZN A 401
source : AC1

3) chain A
residue 279
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 401
source : AC1

4) chain A
residue 283
type
sequence G
description BINDING SITE FOR RESIDUE CL A 402
source : AC2

5) chain A
residue 284
type
sequence M
description BINDING SITE FOR RESIDUE CL A 402
source : AC2

6) chain A
residue 285
type
sequence D
description BINDING SITE FOR RESIDUE CL A 402
source : AC2

7) chain A
residue 286
type
sequence R
description BINDING SITE FOR RESIDUE CL A 402
source : AC2

8) chain A
residue 159
type
sequence R
description BINDING SITE FOR RESIDUE 5GP A 403
source : AC3

9) chain A
residue 169
type
sequence L
description BINDING SITE FOR RESIDUE 5GP A 403
source : AC3

10) chain A
residue 174
type
sequence M
description BINDING SITE FOR RESIDUE 5GP A 403
source : AC3

11) chain A
residue 235
type
sequence K
description BINDING SITE FOR RESIDUE 5GP A 403
source : AC3

12) chain A
residue 250
type
sequence A
description BINDING SITE FOR RESIDUE 5GP A 403
source : AC3

13) chain A
residue 251
type
sequence C
description BINDING SITE FOR RESIDUE 5GP A 403
source : AC3

14) chain A
residue 253
type
sequence S
description BINDING SITE FOR RESIDUE 5GP A 403
source : AC3

15) chain A
residue 283
type
sequence G
description BINDING SITE FOR RESIDUE 5GP A 403
source : AC3

16) chain A
residue 286
type
sequence R
description BINDING SITE FOR RESIDUE 5GP A 403
source : AC3

17) chain B
residue 131
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 401
source : AC4

18) chain B
residue 176
type
sequence E
description BINDING SITE FOR RESIDUE ZN B 401
source : AC4

19) chain B
residue 279
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 401
source : AC4

20) chain B
residue 159
type
sequence R
description BINDING SITE FOR RESIDUE AMP B 402
source : AC5

21) chain B
residue 161
type
sequence E
description BINDING SITE FOR RESIDUE AMP B 402
source : AC5

22) chain B
residue 169
type
sequence L
description BINDING SITE FOR RESIDUE AMP B 402
source : AC5

23) chain B
residue 172
type
sequence F
description BINDING SITE FOR RESIDUE AMP B 402
source : AC5

24) chain B
residue 174
type
sequence M
description BINDING SITE FOR RESIDUE AMP B 402
source : AC5

25) chain B
residue 235
type
sequence K
description BINDING SITE FOR RESIDUE AMP B 402
source : AC5

26) chain B
residue 250
type
sequence A
description BINDING SITE FOR RESIDUE AMP B 402
source : AC5

27) chain B
residue 251
type
sequence C
description BINDING SITE FOR RESIDUE AMP B 402
source : AC5

28) chain B
residue 252
type
sequence M
description BINDING SITE FOR RESIDUE AMP B 402
source : AC5

29) chain B
residue 253
type
sequence S
description BINDING SITE FOR RESIDUE AMP B 402
source : AC5

30) chain B
residue 283
type
sequence G
description BINDING SITE FOR RESIDUE AMP B 402
source : AC5

31) chain B
residue 286
type
sequence R
description BINDING SITE FOR RESIDUE AMP B 402
source : AC5

32) chain B
residue 132
type
sequence Y
description BINDING SITE FOR RESIDUE PNS C 101
source : AC6

33) chain B
residue 215
type
sequence D
description BINDING SITE FOR RESIDUE PNS C 101
source : AC6

34) chain B
residue 228
type
sequence N
description BINDING SITE FOR RESIDUE PNS C 101
source : AC6

35) chain B
residue 232
type
sequence Q
description BINDING SITE FOR RESIDUE PNS C 101
source : AC6

36) chain B
residue 257
type
sequence H
description BINDING SITE FOR RESIDUE PNS C 101
source : AC6

37) chain B
residue 260
type
sequence H
description BINDING SITE FOR RESIDUE PNS C 101
source : AC6

38) chain C
residue 35
type
sequence S
description BINDING SITE FOR RESIDUE PNS C 101
source : AC6

39) chain A
residue 132
type
sequence Y
description BINDING SITE FOR RESIDUE PNS D 101
source : AC7

40) chain A
residue 215
type
sequence D
description BINDING SITE FOR RESIDUE PNS D 101
source : AC7

41) chain A
residue 228
type
sequence N
description BINDING SITE FOR RESIDUE PNS D 101
source : AC7

42) chain A
residue 232
type
sequence Q
description BINDING SITE FOR RESIDUE PNS D 101
source : AC7

43) chain A
residue 257
type
sequence H
description BINDING SITE FOR RESIDUE PNS D 101
source : AC7

44) chain D
residue 35
type
sequence S
description BINDING SITE FOR RESIDUE PNS D 101
source : AC7

45) chain D
residue 36
type
sequence F
description BINDING SITE FOR RESIDUE PNS D 101
source : AC7

46) chain C
residue 35
type MOD_RES
sequence S
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

47) chain D
residue 35
type MOD_RES
sequence S
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

48) chain A
residue 161
type MOD_RES
sequence E
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

49) chain B
residue 131
type MOD_RES
sequence C
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

50) chain B
residue 159
type MOD_RES
sequence R
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

51) chain B
residue 161
type MOD_RES
sequence E
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

52) chain B
residue 168
type MOD_RES
sequence R
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

53) chain B
residue 176
type MOD_RES
sequence E
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

54) chain B
residue 235
type MOD_RES
sequence K
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

55) chain B
residue 250
type MOD_RES
sequence A
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

56) chain B
residue 279
type MOD_RES
sequence C
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

57) chain B
residue 286
type MOD_RES
sequence R
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

58) chain A
residue 176
type MOD_RES
sequence E
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

59) chain A
residue 235
type MOD_RES
sequence K
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

60) chain A
residue 250
type MOD_RES
sequence A
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

61) chain A
residue 279
type MOD_RES
sequence C
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

62) chain A
residue 286
type MOD_RES
sequence R
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1

63) chain A
residue 168
type MOD_RES
sequence R
description O-(pantetheine 4'-phosphoryl)serine => ECO:0000255|PROSITE-ProRule:PRU00258
source Swiss-Prot : SWS_FT_FI1


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