eF-site ID 1nlu-A
PDB Code 1nlu
Chain A

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Title Pseudomonas sedolisin (serine-carboxyl proteinase) complexed with two molecules of pseudo-iodotyrostatin
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound SEDOLISIN
Source Pseudomonas sp. (strain 101) (Achromobacter parvulus T1) (1NLU)
Sequence A:  GTAKGHNPTEFPTIYDASSAPTAANTTVGIITIGGVSQTL
QDLQQFTSANGLASVNTQTIQTGSSNGDYSDDQQGQGEWD
LDSQSIVGSAGGAVQQLLFYMADQSASGNTGLTQAFNQAV
SDNVAKVINVSLGWCEADANADGTLQAEDRIFATAAAQGQ
TFSVSSGDEGVYECNNRGYPDGSTYSVSWPASSPNVIAVG
GTTLYTTSAGAYSNETVWNEGLDSNGKLWATGGGYSVYES
KPSWQSVVSGTPGRRLLPDISFDAAQGTGALIYNYGQLQQ
IGGTSLASPIFVGLWARLQSANSNSLGFPAASFYSAISST
PSLVHDVKSGNNGYGGYGYNAGTGWDYPTGWGSLDIAKLS
AYIRSNGF
Description (1)  SERINE-CARBOXYL PROTEINASE (E.C.3.4.21.100)


Functional site

1) chain A
residue 328
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CA A 501
source : AC1

2) chain A
residue 329
type
ligand
sequence V
description BINDING SITE FOR RESIDUE CA A 501
source : AC1

3) chain A
residue 344
type
ligand
sequence G
description BINDING SITE FOR RESIDUE CA A 501
source : AC1

4) chain A
residue 346
type
ligand
sequence G
description BINDING SITE FOR RESIDUE CA A 501
source : AC1

5) chain A
residue 348
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CA A 501
source : AC1

6) chain A
residue 74
type
ligand
sequence D
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

7) chain A
residue 80
type
ligand
sequence E
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

8) chain A
residue 81
type
ligand
sequence W
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

9) chain A
residue 133
type
ligand
sequence S
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

10) chain A
residue 134
type
ligand
sequence L
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

11) chain A
residue 135
type
ligand
sequence G
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

12) chain A
residue 136
type
ligand
sequence W
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

13) chain A
residue 169
type
ligand
sequence G
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

14) chain A
residue 170
type
ligand
sequence D
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

15) chain A
residue 171
type
ligand
sequence E
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

16) chain A
residue 175
type
ligand
sequence E
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

17) chain A
residue 179
type
ligand
sequence R
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

18) chain A
residue 190
type
ligand
sequence S
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

19) chain A
residue 285
type
ligand
sequence G
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

20) chain A
residue 286
type
ligand
sequence T
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

21) chain A
residue 287
type
ligand
sequence S
description BINDING SITE FOR CHAIN B OF PSEUDO-IODOTYROSTATIN
source : AC2

22) chain A
residue 79
type
ligand
sequence G
description BINDING SITE FOR CHAIN C OF PSEUDO-IODOTYROSTATIN
source : AC3

23) chain A
residue 80
type
ligand
sequence E
description BINDING SITE FOR CHAIN C OF PSEUDO-IODOTYROSTATIN
source : AC3

24) chain A
residue 222
type
ligand
sequence E
description BINDING SITE FOR CHAIN C OF PSEUDO-IODOTYROSTATIN
source : AC3

25) chain A
residue 231
type
ligand
sequence W
description BINDING SITE FOR CHAIN C OF PSEUDO-IODOTYROSTATIN
source : AC3

26) chain A
residue 268
type
ligand
sequence Q
description BINDING SITE FOR CHAIN C OF PSEUDO-IODOTYROSTATIN
source : AC3

27) chain A
residue 281
type
ligand
sequence Q
description BINDING SITE FOR CHAIN C OF PSEUDO-IODOTYROSTATIN
source : AC3

28) chain A
residue 283
type
ligand
sequence I
description BINDING SITE FOR CHAIN C OF PSEUDO-IODOTYROSTATIN
source : AC3

29) chain A
residue 284
type
ligand
sequence G
description BINDING SITE FOR CHAIN C OF PSEUDO-IODOTYROSTATIN
source : AC3

30) chain A
residue 80
type ACT_SITE
ligand
sequence E
description Charge relay system.
source Swiss-Prot : SWS_FT_FI1

31) chain A
residue 84
type ACT_SITE
ligand
sequence D
description Charge relay system.
source Swiss-Prot : SWS_FT_FI1

32) chain A
residue 287
type ACT_SITE
ligand
sequence S
description Charge relay system.
source Swiss-Prot : SWS_FT_FI1

33) chain A
residue 328
type METAL
ligand
sequence D
description Calcium
source Swiss-Prot : SWS_FT_FI2

34) chain A
residue 348
type METAL
ligand
sequence D
description Calcium
source Swiss-Prot : SWS_FT_FI2

35) chain A
residue 329
type METAL
ligand
sequence V
description Calcium; via carbonyl oxygen
source Swiss-Prot : SWS_FT_FI3

36) chain A
residue 344
type METAL
ligand
sequence G
description Calcium; via carbonyl oxygen
source Swiss-Prot : SWS_FT_FI3

37) chain A
residue 346
type METAL
ligand
sequence G
description Calcium; via carbonyl oxygen
source Swiss-Prot : SWS_FT_FI3

38) chain A
residue 80
type catalytic
ligand
sequence E
description a catalytic site defined by CSA, PubMed 12673349, 1562589, 10488127
source CSA : CSA1

39) chain A
residue 170
type catalytic
ligand
sequence D
description a catalytic site defined by CSA, PubMed 12673349, 1562589, 10488127
source CSA : CSA1

40) chain A
residue 287
type catalytic
ligand
sequence S
description a catalytic site defined by CSA, PubMed 12673349, 1562589, 10488127
source CSA : CSA1

41) chain A
residue 84
type catalytic
ligand
sequence D
description a catalytic site defined by CSA, PubMed 12673349, 1562589, 10488127
source CSA : CSA1


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