eF-site ID 5n9w-B
PDB Code 5n9w
Chain B

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Title Structure of adenylation domain THR1 involved in the biosynthesis of 4-chlorothreonine in Streptomyces SP.OH-5093, apo structure
Classification TRANSFERASE
Compound Adenylation domain
Source Streptomyces sp (H6SG27_STRSQ)
Sequence B:  EFGATLVDLFSRAAMEMPDRTALHIKISYGLLHSWAEGLA
DLLHDAGVRKGDRVALRMPPGANAIAAMLGILRAGAAYVP
LDIRNPPARNAFIVTDSQVVALVGDPGGPLVTEENVAALR
PERPGPQDVAYIIYTSGTTGRPKGVPVRHGNVTALFEACS
RLFSFSADDRWLLFHSMAFDFSVWEIWGALSTGAELVVLP
TPVETARVVRDRGITVLNQTPTAFGALTTAVLGEGIDLPE
LRYVVFGGEKLTPAVVRPWAKRFGLDRPHLINMYGITETT
VHATFHRLTEDDLAAEDSVIGRPLPGFTHRIVTEDGRDAA
TGEPGELWLAGPQVSEGYLNRPELTAERFTTGPRYYHSGD
LVSRRAGGDLVYQGRADLQVKLRGHRIELSDVEAAVRTHP
AVVDAVVWVHEFAPGDSRLVCAYTAQGPDARALRAHVKTV
LPSYMQPSQYLALPELPRTINGKADRASVARAFDERR
Description (1)  Adenylation domain


Functional site

1) chain B
residue 212
type
ligand
sequence D
description binding site for residue ACT B 601
source : AC2

2) chain B
residue 285
type
ligand
sequence G
description binding site for residue ACT B 601
source : AC2

3) chain B
residue 312
type
ligand
sequence G
description binding site for residue ACT B 601
source : AC2

4) chain B
residue 318
type
ligand
sequence V
description binding site for residue ACT B 601
source : AC2

5) chain B
residue 262
type
ligand
sequence G
description binding site for residue ACT B 602
source : AC3

6) chain B
residue 263
type
ligand
sequence A
description binding site for residue ACT B 602
source : AC3

7) chain B
residue 266
type
ligand
sequence T
description binding site for residue ACT B 602
source : AC3

8) chain B
residue 443
type
ligand
sequence R
description binding site for residue ACT B 602
source : AC3

9) chain B
residue 445
type
ligand
sequence H
description binding site for residue ACT B 602
source : AC3

10) chain B
residue 448
type
ligand
sequence V
description binding site for residue ACT B 602
source : AC3

11) chain B
residue 472
type
ligand
sequence Q
description binding site for residue ACT B 602
source : AC3

12) chain B
residue 406
type BINDING
ligand
sequence D
description ATP. {ECO:0000213|PDB:5APB}.
source Swiss-Prot : SWS_FT_FI5

13) chain B
residue 421
type BINDING
ligand
sequence R
description ATP. {ECO:0000213|PDB:5APB}.
source Swiss-Prot : SWS_FT_FI5

14) chain B
residue 406
type BINDING
ligand
sequence D
description AMP. {ECO:0000213|PDB:5APB}.
source Swiss-Prot : SWS_FT_FI6

15) chain B
residue 167-168
type NP_BIND
ligand
sequence TS
description ATP. {ECO:0000213|PDB:5APB}.
source Swiss-Prot : SWS_FT_FI7

16) chain B
residue 285-286
type NP_BIND
ligand
sequence GE
description ATP. {ECO:0000213|PDB:5APB}.
source Swiss-Prot : SWS_FT_FI7

17) chain B
residue 309-314
type NP_BIND
ligand
sequence NMYGIT
description ATP. {ECO:0000213|PDB:5APB}.
source Swiss-Prot : SWS_FT_FI7

18) chain B
residue 285-286
type NP_BIND
ligand
sequence GE
description AMP. {ECO:0000213|PDB:5APB}.
source Swiss-Prot : SWS_FT_FI8

19) chain B
residue 309-314
type NP_BIND
ligand
sequence NMYGIT
description AMP. {ECO:0000213|PDB:5APB}.
source Swiss-Prot : SWS_FT_FI8

20) chain B
residue 418-421
type NP_BIND
ligand
sequence YQGR
description AMP. {ECO:0000213|PDB:5APB}.
source Swiss-Prot : SWS_FT_FI8

21) chain B
residue 513-515
type NP_BIND
ligand
sequence NGK
description AMP. {ECO:0000213|PDB:5APB}.
source Swiss-Prot : SWS_FT_FI8

22) chain B
residue 212-213
type binding
ligand ACT: ACETATE ION
sequence DF
description ACETATE ION binding site
source pdb_hetatom : ACT_5n9w_B_601

23) chain B
residue 284-285
type binding
ligand ACT: ACETATE ION
sequence GG
description ACETATE ION binding site
source pdb_hetatom : ACT_5n9w_B_601

24) chain B
residue 312-314
type binding
ligand ACT: ACETATE ION
sequence GIT
description ACETATE ION binding site
source pdb_hetatom : ACT_5n9w_B_601

25) chain B
residue 318-319
type binding
ligand ACT: ACETATE ION
sequence VH
description ACETATE ION binding site
source pdb_hetatom : ACT_5n9w_B_601

26) chain B
residue 262-263
type binding
ligand ACT: ACETATE ION
sequence GA
description ACETATE ION binding site
source pdb_hetatom : ACT_5n9w_B_602

27) chain B
residue 266
type binding
ligand ACT: ACETATE ION
sequence T
description ACETATE ION binding site
source pdb_hetatom : ACT_5n9w_B_602

28) chain B
residue 443-449
type binding
ligand ACT: ACETATE ION
sequence RTHPAVV
description ACETATE ION binding site
source pdb_hetatom : ACT_5n9w_B_602

29) chain B
residue 472
type binding
ligand ACT: ACETATE ION
sequence Q
description ACETATE ION binding site
source pdb_hetatom : ACT_5n9w_B_602


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