eF-site ID 4y2a-A
PDB Code 4y2a
Chain A

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Title Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor
Classification TRANSFERASE/TRANSFERASE INHIBITOR
Compound 3D polymerase
Source Coxsackievirus B3 (strain Nancy) (POLG_CXB3N)
Sequence A:  GEIEFIESSKDAGFPVINTPSKTKLEPSVFHQVFEGNKEP
AVLRSGDPRLKANFEEAIFSKYIGNVNTHVDEYMLEAVDH
YAGQLATLDISTEPMKLEDAVYGTEGLEALDLTTSAGYPY
VALGIKKRDILSKKTKDLTKLKECMDKYGLNLPMVTYVKD
ELRSIEKVAKGKSRLIEASSLNDSVAMRQTFGNLYKTFHL
NPGVVTGSAVGCDPDLFWSKIPVMLDGHLIAFDYSGYDAS
LSPVWFACLKMLLEKLGYTHKETNYIDYLCNSHHLYRDKH
YFVRGGMPSGCSGTSIFNSMINNIIIRTLMLKVYKGIDLD
QFRMIAYGDDVIASYPWPIDASLLAEAGKGYGLIMTPADK
GECFNEVTWTNATFLKRYFRADEQYPFLVHPVMPMKDIHE
SIRWTKDPKNTQDHVRSLCLLAWHNGEHEYEEFIRKIRSV
PVGRCLTLPAFSTLRRKWLDSFHHHH
Description


Functional site

1) chain A
residue 107
type
sequence L
description binding site for residue 1FS A 501
source : AC1

2) chain A
residue 108
type
sequence E
description binding site for residue 1FS A 501
source : AC1

3) chain A
residue 111
type
sequence D
description binding site for residue 1FS A 501
source : AC1

4) chain A
residue 184
type
sequence S
description binding site for residue 1FS A 501
source : AC1

5) chain A
residue 188
type
sequence R
description binding site for residue 1FS A 501
source : AC1

6) chain A
residue 199
type
sequence H
description binding site for residue 1FS A 501
source : AC1

7) chain A
residue 290
type
sequence G
description binding site for residue 1FS A 501
source : AC1

8) chain A
residue 291
type
sequence C
description binding site for residue 1FS A 501
source : AC1

9) chain A
residue 292
type
sequence S
description binding site for residue 1FS A 501
source : AC1

10) chain A
residue 293
type
sequence G
description binding site for residue 1FS A 501
source : AC1

11) chain A
residue 294
type
sequence T
description binding site for residue 1FS A 501
source : AC1

12) chain A
residue 295
type
sequence S
description binding site for residue 1FS A 501
source : AC1

13) chain A
residue 296
type
sequence I
description binding site for residue 1FS A 501
source : AC1

14) chain A
residue 327
type
sequence Y
description binding site for residue 1FS A 501
source : AC1

15) chain A
residue 61
type
sequence K
description binding site for residue SO4 A 502
source : AC2

16) chain A
residue 174
type
sequence R
description binding site for residue SO4 A 502
source : AC2

17) chain A
residue 236
type
sequence G
description binding site for residue SO4 A 502
source : AC2

18) chain A
residue 416
type
sequence R
description binding site for residue SO4 A 503
source : AC3

19) chain A
residue 449
type
sequence P
description binding site for residue SO4 A 503
source : AC3

20) chain A
residue 453
type
sequence T
description binding site for residue SO4 A 503
source : AC3

21) chain A
residue 384
type
sequence Q
description binding site for residue SO4 A 504
source : AC4

22) chain A
residue 385
type
sequence Y
description binding site for residue SO4 A 504
source : AC4

23) chain A
residue 409
type
sequence K
description binding site for residue SO4 A 504
source : AC4

24) chain A
residue 455
type
sequence R
description binding site for residue SO4 A 504
source : AC4

25) chain A
residue 38
type
sequence K
description binding site for residue SO4 A 505
source : AC5

26) chain A
residue 376
type
sequence K
description binding site for residue SO4 A 505
source : AC5

27) chain A
residue 397
type
sequence D
description binding site for residue SO4 A 505
source : AC5

28) chain A
residue 400
type
sequence E
description binding site for residue SO4 A 505
source : AC5

29) chain A
residue 426
type
sequence G
description binding site for residue SO4 A 506
source : AC6

30) chain A
residue 427
type
sequence E
description binding site for residue SO4 A 506
source : AC6

31) chain A
residue 428
type
sequence H
description binding site for residue SO4 A 506
source : AC6

32) chain A
residue 406
type
sequence K
description binding site for residue GOL A 507
source : AC7

33) chain A
residue 414
type
sequence H
description binding site for residue GOL A 507
source : AC7

34) chain A
residue 385
type
sequence Y
description binding site for residue GOL A 508
source : AC8

35) chain A
residue 388
type
sequence L
description binding site for residue GOL A 508
source : AC8

36) chain A
residue 408
type
sequence P
description binding site for residue GOL A 508
source : AC8

37) chain A
residue 459
type
sequence L
description binding site for residue GOL A 508
source : AC8

38) chain A
residue 463
type
sequence H
description binding site for residue GOL A 508
source : AC8

39) chain A
residue 44
type
sequence R
description binding site for residue GOL A 509
source : AC9

40) chain A
residue 45
type
sequence S
description binding site for residue GOL A 509
source : AC9

41) chain A
residue 46
type
sequence G
description binding site for residue GOL A 509
source : AC9

42) chain A
residue 38
type
sequence K
description binding site for residue GOL A 510
source : AD1

43) chain A
residue 163
type
sequence R
description binding site for residue GOL A 510
source : AD1

44) chain A
residue 164
type
sequence S
description binding site for residue GOL A 510
source : AD1

45) chain A
residue 167
type
sequence K
description binding site for residue GOL A 510
source : AD1

46) chain A
residue 174
type
sequence R
description binding site for residue GOL A 510
source : AD1

47) chain A
residue 233
type BINDING
sequence D
description BINDING => ECO:0000305|PubMed:23667424
source Swiss-Prot : SWS_FT_FI1

48) chain A
residue 329
type BINDING
sequence D
description BINDING => ECO:0000250|UniProtKB:P03300
source Swiss-Prot : SWS_FT_FI2


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