PDBsum entry 2npp

Pore analysis for: 2npp calculated with

MOLE 2.0

PDB id

2npp

Pores calculated on whole structure

Pores calculated excluding ligands

View options

MOLEonline 2.0 manipulation
and
visualization
with HETATM:

without HETATM:

11 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

2.23

2.47

49.8

-2.75

-0.64

33.4

78

5

5

2

1

0

1

0

2

1.15

1.85

57.6

-1.50

-0.03

23.3

84

5

4

4

5

2

1

0

3

2.29

2.45

80.4

-0.88

-0.29

13.1

80

6

5

5

7

3

4

0

4

1.19

2.26

82.1

-0.86

-0.21

18.2

80

8

7

4

9

1

1

0

5

1.17

2.38

93.7

-1.48

-0.29

17.8

78

9

4

5

4

2

1

0

ACB 3 Y 1ZN 5 Y FGA 6 Y

6

2.29

2.45

109.4

-1.56

-0.47

19.7

80

8

7

4

3

2

4

0

7

1.58

1.78

116.5

-1.95

-0.46

24.4

78

11

9

7

4

4

4

1

8

2.29

2.45

129.7

-1.16

-0.41

14.1

80

10

8

7

7

4

5

0

ACB 3 Y 1ZN 5 Y FGA 6 Y

9

1.33

1.69

133.1

-0.04

0.04

15.1

76

7

4

2

9

3

2

2

10

1.44

2.74

138.0

-1.51

-0.30

19.8

83

12

8

4

4

3

1

0

ACB 3 Y 1ZN 5 Y

11

1.40

1.88

155.5

-1.48

-0.10

23.4

80

12

7

4

8

7

1

0

12

1.19

2.29

158.4

-1.89

-0.40

27.7

80

17

16

8

8

0

2

0

13

1.34

1.83

167.0

-0.89

-0.14

18.8

79

11

6

4

11

6

1

1

14

1.25

2.45

211.0

-1.31

-0.21

21.4

79

15

9

4

8

5

1

1

15

1.42

2.09

223.3

-1.15

-0.24

18.9

80

14

9

6

11

6

2

1

ACB 3 Y 1ZN 5 Y

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.