eF-site ID 4r7g-A
PDB Code 4r7g
Chain A

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Title Determination of the formylglycinamide ribonucleotide amidotransferase ammonia pathway by combining 3D-RISM theory with experiment
Classification LIGASE
Compound Phosphoribosylformylglycinamidine synthase
Source Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (PUR4_SALTY)
Sequence A:  GLVPRGSHMMEILRGSPALSAFRINKLLARFQAANLQVHN
IYAEYVHFADLNAPLNDSEQAQLTRLLQYGPALSSHTPAG
KLLLVTPRPGTISPWSSKATDIAHNCGLQQVDRLERGVAY
YIEASTLTAEQWRQVAAELHDRMMETVFSSLTDAEKLFIH
HQPAPVSSVDLLGEGRQALIDANLRLGLALAEDEIDYLQE
AFTKLGRNPNDIELYMFAQANSEHCRHKIFNADWIIDGKP
QPKSLFKMIKNTFETTPDYVLSAYKDNAAVMEGSAVGRYF
ADHNTGRYDFHQEPAHILMKVETHNHPTAISPWPGAATGS
GGEIRDEGATGRGAKPKAGLIGFSVSNLRIPGFEQPWEED
FGKPERIVTALDIMTEGPLGGAAFNNEFGRPALTGYFRTY
EEKVNSHNGEELRGYHKPIMLAGGIGNIRADHVQKGEIVV
GAKLIVLGGPAMNIGFASVQRDNPEMERRCQEVIDRCWQL
GDANPILFIHDVGAGGLSNAMPELVSDGGRGGKFELRDIL
SDEPGMSPLEIWCNESQERYVLAVAADQLPLFDELCKRER
APYAVIGDATEEQHLSLHDNHFDNQPIDLPLDVLLGKTPK
MTRDVQTLKAKGDALNRADITIADAVKRVLHLPTVAEKTF
LVTIGDRTVTGMVARDQMVGPWQVPVADCAVTTASLDSYY
GEAMSIGERAPVALLDFAASARLAVGEALTNIAATQIGDI
KRIKLSANWMAAAGHPGEDAGLYDAVKAVGEELCPQLGLT
IPVGKDSMSMKTRWQEGNEQREMTSPLSLVISAFARVEDV
RHTLTPQLSTEDNALLLIDLGKGHNALGATALAQVYRQLG
DKPADVRDVAQLKGFYDAMQALVAARKLLAWHDRSDGGLL
VTLAEMAFAGHCGVQVDIAALGDDHLAALFNEELGGVIQV
RAEDRDAVEALLAQYGLADCVHYLGQALAGDRFVITANDQ
TVFSESRTTLRVWWAETTWQMQRLRDNPQCADQEHEAKAN
DTDPGLNVKLSFDINEDIAAPYIATGARPKVAVLREQGVN
SHVEMAAAFHRAGFDAIDVHMSDLLGGRIGLGNFHALVAC
GGFSYGDVLGAGEGWAKSILFNHRVRDEFETFFHRPQTLA
LGVXNGCQMMSNLRELIPGSELWPRFVRNHSDRFEARFSL
VEVTQSPSLLLQGMVGSQMPIAVSHGEGRVEVRDDAHLAA
LESKGLVALRYVDNFGKVTETYPANPNGSPNGITAVTTEN
GRVTIMMPHPERVFRTVANSWHPENWGEDSPWMRIFRNAR
KQLG
Description


Functional site

1) chain A
residue 679
type
sequence D
description BINDING SITE FOR RESIDUE MG A 1301
source : AC1

2) chain A
residue 722
type
sequence N
description BINDING SITE FOR RESIDUE MG A 1301
source : AC1

3) chain A
residue 884
type
sequence D
description BINDING SITE FOR RESIDUE MG A 1301
source : AC1

4) chain A
residue 886
type
sequence S
description BINDING SITE FOR RESIDUE MG A 1301
source : AC1

5) chain A
residue 697
type
sequence I
description BINDING SITE FOR RESIDUE MG A 1302
source : AC2

6) chain A
residue 718
type
sequence E
description BINDING SITE FOR RESIDUE MG A 1302
source : AC2

7) chain A
residue 896
type
sequence E
description BINDING SITE FOR RESIDUE MG A 1303
source : AC3

8) chain A
residue 216
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 1304
source : AC4

9) chain A
residue 294
type
sequence E
description BINDING SITE FOR RESIDUE SO4 A 1304
source : AC4

10) chain A
residue 504
type
sequence G
description BINDING SITE FOR RESIDUE SO4 A 1304
source : AC4

11) chain A
residue 505
type
sequence A
description BINDING SITE FOR RESIDUE SO4 A 1304
source : AC4

12) chain A
residue 216
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 1305
source : AC5

13) chain A
residue 295
type
sequence T
description BINDING SITE FOR RESIDUE SO4 A 1305
source : AC5

14) chain A
residue 296
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 1305
source : AC5

15) chain A
residue 297
type
sequence N
description BINDING SITE FOR RESIDUE SO4 A 1305
source : AC5

16) chain A
residue 298
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 1305
source : AC5

17) chain A
residue 778
type
sequence S
description BINDING SITE FOR RESIDUE SO4 A 1305
source : AC5

18) chain A
residue 812
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 1306
source : AC6

19) chain A
residue 1228
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 1306
source : AC6

20) chain A
residue 1229
type
sequence V
description BINDING SITE FOR RESIDUE SO4 A 1306
source : AC6

21) chain A
residue 1176
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 A 1307
source : AC7

22) chain A
residue 1183
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 A 1307
source : AC7

23) chain A
residue 1184
type
sequence G
description BINDING SITE FOR RESIDUE SO4 A 1307
source : AC7

24) chain A
residue 1185
type
sequence M
description BINDING SITE FOR RESIDUE SO4 A 1307
source : AC7

25) chain A
residue 1186
type
sequence V
description BINDING SITE FOR RESIDUE SO4 A 1307
source : AC7

26) chain A
residue 1040
type
sequence P
description BINDING SITE FOR RESIDUE SO4 A 1308
source : AC8

27) chain A
residue 1041
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 1308
source : AC8

28) chain A
residue 1086
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 1308
source : AC8

29) chain A
residue 1086
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 1309
source : AC9

30) chain A
residue 1126
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 1309
source : AC9

31) chain A
residue 1127
type
sequence P
description BINDING SITE FOR RESIDUE SO4 A 1309
source : AC9

32) chain A
residue 1128
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 A 1309
source : AC9

33) chain A
residue 333
type
sequence I
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

34) chain A
residue 386
type
sequence T
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

35) chain A
residue 387
type
sequence G
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

36) chain A
residue 388
type
sequence Y
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

37) chain A
residue 389
type
sequence F
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

38) chain A
residue 649
type
sequence K
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

39) chain A
residue 652
type
sequence L
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

40) chain A
residue 653
type
sequence V
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

41) chain A
residue 668
type
sequence Q
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

42) chain A
residue 676
type
sequence P
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

43) chain A
residue 678
type
sequence A
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

44) chain A
residue 679
type
sequence D
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

45) chain A
residue 718
type
sequence E
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

46) chain A
residue 722
type
sequence N
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

47) chain A
residue 886
type
sequence S
description BINDING SITE FOR RESIDUE ADP A 1310
source : BC1

48) chain A
residue 1135
type ACT_SITE
sequence X
description Nucleophile => ECO:0000255|HAMAP-Rule:MF_00419
source Swiss-Prot : SWS_FT_FI1

49) chain A
residue 1260
type ACT_SITE
sequence H
description ACT_SITE => ECO:0000255|HAMAP-Rule:MF_00419
source Swiss-Prot : SWS_FT_FI2

50) chain A
residue 1262
type ACT_SITE
sequence E
description ACT_SITE => ECO:0000255|HAMAP-Rule:MF_00419
source Swiss-Prot : SWS_FT_FI2

51) chain A
residue 307
type BINDING
sequence G
description BINDING => ECO:0000255|HAMAP-Rule:MF_00419
source Swiss-Prot : SWS_FT_FI3

52) chain A
residue 386
type BINDING
sequence T
description
source Swiss-Prot : SWS_FT_FI4

53) chain A
residue 678
type BINDING
sequence A
description
source Swiss-Prot : SWS_FT_FI4

54) chain A
residue 886
type BINDING
sequence S
description
source Swiss-Prot : SWS_FT_FI4

55) chain A
residue 679
type BINDING
sequence D
description BINDING => ECO:0000255|HAMAP-Rule:MF_00419, ECO:0000269|PubMed:15301531, ECO:0000269|PubMed:22683785, ECO:0000269|PubMed:24223728
source Swiss-Prot : SWS_FT_FI5

56) chain A
residue 718
type BINDING
sequence E
description BINDING => ECO:0000255|HAMAP-Rule:MF_00419, ECO:0000269|PubMed:15301531, ECO:0000269|PubMed:22683785, ECO:0000269|PubMed:24223728
source Swiss-Prot : SWS_FT_FI5

57) chain A
residue 722
type BINDING
sequence N
description BINDING => ECO:0000255|HAMAP-Rule:MF_00419, ECO:0000269|PubMed:15301531, ECO:0000269|PubMed:22683785, ECO:0000269|PubMed:24223728
source Swiss-Prot : SWS_FT_FI5

58) chain A
residue 884
type BINDING
sequence D
description BINDING => ECO:0000255|HAMAP-Rule:MF_00419, ECO:0000269|PubMed:15301531, ECO:0000269|PubMed:22683785, ECO:0000269|PubMed:24223728
source Swiss-Prot : SWS_FT_FI5


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