PDBsum entry 4pd4

Pore analysis for: 4pd4 calculated with

MOLE 2.0

PDB id

4pd4

Pores calculated on whole structure

Pores calculated excluding ligands

View options

MOLEonline 2.0 manipulation
and
visualization
with HETATM:

without HETATM:

8 pores, coloured by radius

15 pores, coloured by radius

15 pores, coloured as in
list below

Pores are connected internal spaces going through the structure. Only pores longer than 25 Å are shown.

Pores

Free R

Length

HPathy

HPhob

Polar

Rel Mut

Residue..type

Ligands

Radius

1

1.64

2.62

25.2

-0.63

-0.13

18.0

86

5

1

1

4

1

0

0

2

2.51

3.06

26.4

-2.20

-0.41

23.4

71

5

1

2

2

2

0

0

3PH 4006 C

3

3.09

3.36

32.6

-0.76

-0.06

17.2

81

3

1

2

5

2

1

0

4

2.40

3.69

42.9

0.93

0.20

7.8

87

1

3

4

14

1

0

0

UMQ 501 A 3PH 502 A UQ6 4005 C 3PH 302 E

5

1.22

1.57

42.9

0.49

0.22

5.3

91

1

1

6

10

1

1

0

UQ6 4005 C

6

2.79

3.00

45.5

-2.25

-0.69

23.0

80

4

5

4

1

0

3

0

7

2.40

3.69

46.4

0.41

-0.06

7.3

88

1

3

5

11

3

0

0

UMQ 501 A 3PH 502 A 3PH 302 E

8

1.49

2.49

51.7

1.76

0.57

2.5

88

1

0

4

15

3

0

0

UMQ 501 A 3PH 502 A UQ6 4005 C 3PH 302 E

9

1.61

1.74

76.5

-0.63

-0.05

11.4

81

6

1

3

9

6

3

1

HEM 4001 C

10

1.64

2.51

86.6

0.44

0.56

10.5

76

5

0

3

13

8

1

0

3PH 4006 C

11

1.30

2.43

87.6

-2.27

-0.38

20.4

80

10

5

9

2

4

2

1

12

1.20

1.66

96.1

1.30

0.81

6.7

71

5

1

4

20

16

0

0

HEM 4002 C UQ6 4005 C 3PH 4006 C

13

2.65

4.11

100.9

-2.37

-0.57

22.4

80

9

6

6

3

0

4

0

14

1.62

1.75

114.5

0.10

0.32

7.6

73

6

0

4

18

14

2

1

HEM 4001 C 3PH 4006 C

15

1.35

2.30

122.6

-2.46

-0.59

23.4

84

13

10

13

3

2

3

0

Residue-type_colouring

Positive	Negative	Neutral	Aliphatic	Aromatic	Pro & Gly	Cysteine
H,K,R	D,E	S,T,N,Q	A,V,L,I,M	F,Y,W	P,G	C

Acknowledgement

Pores were calculated by

MOLE 2.0 program version 2.5.13.11.08 and visualized using Pymol 0.97rc.