PDBsum entry 3rql

Pore analysis for: 3rql calculated with

MOLE 2.0

PDB id

3rql

Pores calculated on whole structure

Pores calculated excluding ligands

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MOLEonline 2.0 manipulation
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visualization
with HETATM:

without HETATM:

9 pores, coloured by radius

13 pores, coloured by radius

13 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

1.47

1.56

25.4

-1.82

-0.76

21.4

87

3

3

2

1

0

1

0

2

1.63

1.88

36.5

-1.43

-0.06

15.4

73

3

2

2

4

3

2

0

HEM 750 B X2D 800 B

3

1.99

2.08

38.2

-0.03

0.13

13.3

78

2

2

3

9

4

1

1

HEM 750 B X2D 800 B ACT 860 B

4

1.74

2.89

42.8

-1.70

-0.19

25.4

80

5

1

0

3

0

1

0

5

1.48

1.57

43.5

-1.98

-0.18

21.6

76

6

4

3

4

3

2

0

HEM 750 B X2D 800 B

6

1.99

2.07

47.4

-0.35

0.03

11.2

79

2

2

5

8

4

1

1

HEM 750 B X2D 800 B ACT 860 B

7

1.48

1.57

54.0

-1.08

-0.12

18.7

82

5

4

6

8

3

1

1

HEM 750 B H4B 760 B X2D 800 B ACT 860 B

8

1.48

1.56

65.7

-2.08

-0.71

20.4

84

3

4

5

2

1

0

0

9

1.15

1.49

65.9

-1.58

-0.41

20.0

75

6

3

4

5

2

1

1

10

1.15

1.49

74.4

-1.46

-0.39

18.4

74

6

5

2

6

1

3

2

11

1.60

1.87

74.4

-1.93

-0.07

16.6

73

4

4

4

5

4

1

0

HEM 750 B X2D 800 B

12

1.77

4.41

85.3

-0.68

0.04

11.6

78

3

4

7

9

5

0

1

HEM 750 B X2D 800 B ACT 860 B

13

1.63

1.64

110.3

-1.50

-0.38

18.6

74

9

8

6

7

3

4

3

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.