eF-site ID 6chh-B
PDB Code 6chh
Chain B

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Title Structure of human NNMT in complex with bisubstrate inhibitor MS2756
Classification TRANSFERASE/TRANSFERASE INHIBITOR
Compound Nicotinamide N-methyltransferase
Source (NNMT_HUMAN)
Sequence B:  SSGLVPRGSMESGFTSKDTYLSHFNPRDYLEKYYKHSAES
QILKHLLKNLFKIFCLDGVKGDLLIDIGSGPTIYQLLSAC
ESFKEIVVTDYSDQNLQELEKWLKAAPAAFDWSPVVTYVC
DLEGNRVKGPEKEEKLRQAVKQVLKCDVTQSQPLGAVPLP
PADCVLSTLCLDAACPDLPTYCRALRNLGSLLKPGGFLVI
MDALKSSYYMIGEQKFSSLPLGREAVEAAVKEAGYTIEWF
EVISQSYSSTMANNEGLFSLVARKLSR
Description


Functional site

1) chain B
residue 248
type
sequence N
description binding site for residue EDO B 301
source : AC2

2) chain B
residue -1
type
sequence G
description binding site for residue EDO B 302
source : AC3

3) chain B
residue 1
type
sequence M
description binding site for residue EDO B 302
source : AC3

4) chain B
residue 2
type
sequence E
description binding site for residue EDO B 302
source : AC3

5) chain B
residue 11
type
sequence Y
description binding site for residue F0P B 303
source : AC4

6) chain B
residue 20
type
sequence Y
description binding site for residue F0P B 303
source : AC4

7) chain B
residue 24
type
sequence Y
description binding site for residue F0P B 303
source : AC4

8) chain B
residue 25
type
sequence Y
description binding site for residue F0P B 303
source : AC4

9) chain B
residue 63
type
sequence G
description binding site for residue F0P B 303
source : AC4

10) chain B
residue 64
type
sequence S
description binding site for residue F0P B 303
source : AC4

11) chain B
residue 65
type
sequence G
description binding site for residue F0P B 303
source : AC4

12) chain B
residue 67
type
sequence T
description binding site for residue F0P B 303
source : AC4

13) chain B
residue 69
type
sequence Y
description binding site for residue F0P B 303
source : AC4

14) chain B
residue 85
type
sequence D
description binding site for residue F0P B 303
source : AC4

15) chain B
residue 86
type
sequence Y
description binding site for residue F0P B 303
source : AC4

16) chain B
residue 90
type
sequence N
description binding site for residue F0P B 303
source : AC4

17) chain B
residue 141
type
sequence C
description binding site for residue F0P B 303
source : AC4

18) chain B
residue 142
type
sequence D
description binding site for residue F0P B 303
source : AC4

19) chain B
residue 143
type
sequence V
description binding site for residue F0P B 303
source : AC4

20) chain B
residue 163
type
sequence T
description binding site for residue F0P B 303
source : AC4

21) chain B
residue 164
type
sequence L
description binding site for residue F0P B 303
source : AC4

22) chain B
residue 165
type
sequence C
description binding site for residue F0P B 303
source : AC4

23) chain B
residue 167
type
sequence D
description binding site for residue F0P B 303
source : AC4

24) chain B
residue 169
type
sequence A
description binding site for residue F0P B 303
source : AC4

25) chain B
residue 201
type
sequence S
description binding site for residue F0P B 303
source : AC4

26) chain B
residue 204
type
sequence Y
description binding site for residue F0P B 303
source : AC4

27) chain B
residue 213
type
sequence S
description binding site for residue F0P B 303
source : AC4

28) chain B
residue 25
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12
source Swiss-Prot : SWS_FT_FI1

29) chain B
residue 63
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12
source Swiss-Prot : SWS_FT_FI1

30) chain B
residue 69
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12
source Swiss-Prot : SWS_FT_FI1

31) chain B
residue 85
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12
source Swiss-Prot : SWS_FT_FI1

32) chain B
residue 90
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12
source Swiss-Prot : SWS_FT_FI1

33) chain B
residue 142
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12
source Swiss-Prot : SWS_FT_FI1

34) chain B
residue 163
type BINDING
sequence T
description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12
source Swiss-Prot : SWS_FT_FI1

35) chain B
residue 20
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12
source Swiss-Prot : SWS_FT_FI1

36) chain B
residue 197
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:21823666
source Swiss-Prot : SWS_FT_FI2

37) chain B
residue 213
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:21823666
source Swiss-Prot : SWS_FT_FI2

38) chain B
residue 18
type MOD_RES
sequence R
description Citrulline; alternate => ECO:0000269|PubMed:30044909
source Swiss-Prot : SWS_FT_FI3

39) chain B
residue 132
type MOD_RES
sequence R
description Citrulline; alternate => ECO:0000269|PubMed:30044909
source Swiss-Prot : SWS_FT_FI3

40) chain B
residue 181
type MOD_RES
sequence R
description Citrulline; alternate => ECO:0000269|PubMed:30044909
source Swiss-Prot : SWS_FT_FI3

41) chain B
residue 39
type MOD_RES
sequence K
description N6-acetyllysine => ECO:0007744|PubMed:19608861
source Swiss-Prot : SWS_FT_FI4


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