eF-site ID 6nji-AB
PDB Code 6nji
Chain A, B

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Title Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-49
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound cAMP-specific 3',5'-cyclic phosphodiesterase 4D
Source (PDE4D_HUMAN)
Sequence A:  EQEDVLAKELEDVNKWGLHVFRIAELSGNRPLTVIMHTIF
QERDLLKTFKIPVDTLITYLMTLEDHYHADVAYHNNIHAA
DVVQSTHVLLSTPALEAVFTDLEILAAIFASAIHDVDHPG
VSNQFLINTNSELALMYNDSSVLENHHLAVGFKLLQEENC
DIFQNLTKKQRQSLRKMVIDIVLATDMSKHMNLLADLKTM
VETKKVTSSGVLLLDNYSDRIQVLQNMVHCADLSNPTKPL
QLYRQWTDRIMEEFFRQGDRERERGMEISPMCDKHNASVE
KSQVGFIDYIVHPLWETWADLVHPDAQDILDTLEDNREWY
QSTIPQNQVSEFISNTFLD
B:  QEDVLAKELEDVNKWGLHVFRIAELSGNRPLTVIMHTIFQ
ERDLLKTFKIPVDTLITYLMTLEDHYHADVAYHNNIHAAD
VVQSTHVLLSTPALEAVFTDLEILAAIFASAIHDVDHPGV
SNQFLINTNSELALMYNDSSVLENHHLAVGFKLLQEENCD
IFQNLTKKQRQSLRKMVIDIVLATDMSKHMNLLADLKTMV
ETKKVTVLLLDNYSDRIQVLQNMVHCADLSNPTKPLQLYR
QWTDRIMEEFFRQGDRERERGMEISPMCDKHNASVEKSQV
GFIDYIVHPLWETWADLVHPDAQDILDTLEDNREWYQSTI
PQNQVSEFISNTFLD
Description (1)  cAMP-specific 3',5'-cyclic phosphodiesterase 4D (E.C.3.1.4.53)


Functional site

1) chain A
residue 330
type
ligand
sequence H
description binding site for residue ZN A 700
source : AC1

2) chain A
residue 366
type
ligand
sequence H
description binding site for residue ZN A 700
source : AC1

3) chain A
residue 367
type
ligand
sequence D
description binding site for residue ZN A 700
source : AC1

4) chain A
residue 484
type
ligand
sequence D
description binding site for residue ZN A 700
source : AC1

5) chain A
residue 367
type
ligand
sequence D
description binding site for residue MG A 701
source : AC2

6) chain A
residue 487
type
ligand
sequence N
description binding site for residue KR4 A 702
source : AC3

7) chain A
residue 499
type
ligand
sequence T
description binding site for residue KR4 A 702
source : AC3

8) chain A
residue 535
type
ligand
sequence Q
description binding site for residue KR4 A 702
source : AC3

9) chain A
residue 538
type
ligand
sequence F
description binding site for residue KR4 A 702
source : AC3

10) chain A
residue 599
type
ligand
sequence F
description binding site for residue KR4 A 702
source : AC3

11) chain B
residue 330
type
ligand
sequence H
description binding site for residue ZN B 700
source : AC4

12) chain B
residue 366
type
ligand
sequence H
description binding site for residue ZN B 700
source : AC4

13) chain B
residue 367
type
ligand
sequence D
description binding site for residue ZN B 700
source : AC4

14) chain B
residue 484
type
ligand
sequence D
description binding site for residue ZN B 700
source : AC4

15) chain B
residue 367
type
ligand
sequence D
description binding site for residue MG B 701
source : AC5

16) chain B
residue 487
type
ligand
sequence N
description binding site for residue KR4 B 702
source : AC6

17) chain B
residue 499
type
ligand
sequence T
description binding site for residue KR4 B 702
source : AC6

18) chain B
residue 535
type
ligand
sequence Q
description binding site for residue KR4 B 702
source : AC6

19) chain B
residue 538
type
ligand
sequence F
description binding site for residue KR4 B 702
source : AC6

20) chain B
residue 599
type
ligand
sequence F
description binding site for residue KR4 B 702
source : AC6

21) chain A
residue 366-377
type prosite
ligand
sequence HDVDHPGVSNQF
description 3'5'-cyclic nucleotide phosphodiesterase domain signature.H-D-[LIVMFY]-x-H-x-[AG]-x(2)-[NQ]-x-[LIVMFY].
source prosite : PS00126

22) chain B
residue 366-377
type prosite
ligand
sequence HDVDHPGVSNQF
description 3'5'-cyclic nucleotide phosphodiesterase domain signature.H-D-[LIVMFY]-x-H-x-[AG]-x(2)-[NQ]-x-[LIVMFY].
source prosite : PS00126


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