eF-site ID 5b25-A
PDB Code 5b25
Chain A

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Title Crystal structure of human PDE1B with inhibitor 3
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Source Homo sapiens (Human) (PDE1B_HUMAN)
Sequence A:  TYSTAVLNCLKNLDLWCFDVFSLNQAADDHALRTIVFELL
TRHNLISRFKIPTVFLMSFLDALETGYGKYKNPYHNQIHA
ADVTQTVHCFLLRTGMVHCLSEIELLAIIFAAAIHDYEHT
GTTNSFHIQTKSECAIVYNDRSVLENHHISSVFRLMQDDE
MNIFINLTKDEFVELRALVIEMVLATDMSCHFQQVKTMKT
ALQQLERIDKPKALSLLLHAADISHPTKQWLVHSRWTKAL
MEEFFRQGDKEAELGLPFSPLCDRTSTLVAQSQIGFIDFI
VEPTFSVLTDVAEKSVQPLAGDPNPDVVSFRSTWVKRIQE
NKQKWKERAASGITN
Description


Functional site

1) chain A
residue 227
type
sequence H
description binding site for residue ZN A 601
source : AC1

2) chain A
residue 263
type
sequence H
description binding site for residue ZN A 601
source : AC1

3) chain A
residue 264
type
sequence D
description binding site for residue ZN A 601
source : AC1

4) chain A
residue 370
type
sequence D
description binding site for residue ZN A 601
source : AC1

5) chain A
residue 264
type
sequence D
description binding site for residue MG A 602
source : AC2

6) chain A
residue 371
type
sequence I
description binding site for residue 4QJ A 603
source : AC3

7) chain A
residue 373
type
sequence H
description binding site for residue 4QJ A 603
source : AC3

8) chain A
residue 388
type
sequence L
description binding site for residue 4QJ A 603
source : AC3

9) chain A
residue 392
type
sequence F
description binding site for residue 4QJ A 603
source : AC3

10) chain A
residue 409
type
sequence L
description binding site for residue 4QJ A 603
source : AC3

11) chain A
residue 417
type
sequence V
description binding site for residue 4QJ A 603
source : AC3

12) chain A
residue 420
type
sequence S
description binding site for residue 4QJ A 603
source : AC3

13) chain A
residue 421
type
sequence Q
description binding site for residue 4QJ A 603
source : AC3

14) chain A
residue 423
type
sequence G
description binding site for residue 4QJ A 603
source : AC3

15) chain A
residue 424
type
sequence F
description binding site for residue 4QJ A 603
source : AC3

16) chain A
residue 427
type
sequence F
description binding site for residue 4QJ A 603
source : AC3

17) chain A
residue 344
type
sequence K
description binding site for residue SO4 A 604
source : AC4

18) chain A
residue 347
type
sequence K
description binding site for residue SO4 A 604
source : AC4

19) chain A
residue 499
type
sequence R
description binding site for residue SO4 A 605
source : AC5

20) chain A
residue 196
type
sequence R
description binding site for residue GOL A 606
source : AC6

21) chain A
residue 198
type
sequence K
description binding site for residue GOL A 606
source : AC6

22) chain A
residue 314
type
sequence N
description binding site for residue GOL A 606
source : AC6

23) chain A
residue 319
type
sequence E
description binding site for residue GOL A 606
source : AC6

24) chain A
residue 271
type
sequence T
description binding site for residue GOL A 607
source : AC7

25) chain A
residue 395
type
sequence Q
description binding site for residue GOL A 607
source : AC7

26) chain A
residue 407
type
sequence S
description binding site for residue GOL A 607
source : AC7

27) chain A
residue 408
type
sequence P
description binding site for residue GOL A 607
source : AC7

28) chain A
residue 410
type
sequence C
description binding site for residue GOL A 607
source : AC7

29) chain A
residue 441
type
sequence E
description binding site for residue 4QJ B 603
source : AD1

30) chain A
residue 474
type
sequence P
description binding site for residue 4QJ B 603
source : AD1

31) chain A
residue 475
type
sequence N
description binding site for residue 4QJ B 603
source : AD1

32) chain A
residue 476
type
sequence P
description binding site for residue 4QJ B 603
source : AD1

33) chain A
residue 478
type
sequence V
description binding site for residue 4QJ B 603
source : AD1

34) chain A
residue 479
type
sequence V
description binding site for residue 4QJ B 603
source : AD1

35) chain A
residue 351
type
sequence Q
description binding site for residue SO4 B 604
source : AD2

36) chain A
residue 198
type
sequence K
description binding site for residue GOL B 606
source : AD4

37) chain A
residue 447
type
sequence L
description binding site for residue GOL B 607
source : AD5

38) chain A
residue 476
type
sequence P
description binding site for residue GOL B 607
source : AD5

39) chain A
residue 316
type
sequence T
description binding site for residue SO4 C 604
source : AE1

40) chain A
residue 318
type
sequence D
description binding site for residue SO4 C 604
source : AE1

41) chain A
residue 263-274
type prosite
sequence HDYEHTGTTNSF
description PDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDYeHtGttNsF
source prosite : PS00126

42) chain A
residue 223
type ACT_SITE
sequence H
description Proton donor => ECO:0000250|UniProtKB:O76083
source Swiss-Prot : SWS_FT_FI1

43) chain A
residue 227
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:15260978, ECO:0007744|PDB:1TAZ, ECO:0007744|PDB:4NPV, ECO:0007744|PDB:4NPW
source Swiss-Prot : SWS_FT_FI2

44) chain A
residue 263
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:15260978, ECO:0007744|PDB:1TAZ, ECO:0007744|PDB:4NPV, ECO:0007744|PDB:4NPW
source Swiss-Prot : SWS_FT_FI2

45) chain A
residue 264
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:15260978, ECO:0007744|PDB:1TAZ, ECO:0007744|PDB:4NPV, ECO:0007744|PDB:4NPW
source Swiss-Prot : SWS_FT_FI2

46) chain A
residue 370
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:15260978, ECO:0007744|PDB:1TAZ, ECO:0007744|PDB:4NPV, ECO:0007744|PDB:4NPW
source Swiss-Prot : SWS_FT_FI2

47) chain A
residue 489
type MOD_RES
sequence I
description Phosphoserine => ECO:0000250|UniProtKB:Q01065
source Swiss-Prot : SWS_FT_FI3


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