PDBsum entry 4a8f

Tunnel analysis for: 4a8f calculated with

MOLE 2.0

PDB id

4a8f

Tunnels calculated on whole structure

Tunnels calculated excluding ligands

View options

MOLEonline 2.0 manipulation
and
visualization
with HETATM:

without HETATM:

14 tunnels, coloured by tunnel radius

15 tunnels, coloured by tunnel radius

15 tunnels, coloured as in
list below

Tunnels are interior spaces connected with the protein surrounding. Only channels longer than 15 Å are shown.

Tunnels

Free R

Length

HPathy

HPhob

Polar

Rel Mut

Residue..type

Ligands

Radius

1

1.41

1.99

40.5

-2.43

-0.48

23.1

82

7

6

6

2

3

2

0

MG 1665 A ATP 1666 A ATP 1667 A

2

1.40

1.96

42.1

-2.55

-0.51

22.4

82

7

5

7

1

3

2

0

MG 1665 A ATP 1666 A ATP 1667 A

3

1.42

1.89

52.2

-1.60

-0.31

12.8

79

3

3

6

2

5

3

0

ATP 1666 A

4

1.41

1.85

57.2

-2.13

-0.43

19.0

82

7

2

11

3

4

2

1

ATP 1666 A

5

1.43

1.93

58.4

-2.31

-0.50

18.8

81

6

4

8

3

3

3

0

ATP 1666 A

6

1.28

1.28

38.0

-1.45

-0.52

13.6

81

3

2

3

3

3

1

0

7

1.27

1.27

40.9

-2.06

-0.53

24.4

82

6

6

3

3

4

0

0

ATP 1665 C ATP 1666 C MG 1667 C

8

1.28

1.28

43.1

-2.08

-0.57

24.9

81

6

5

4

2

4

0

0

ATP 1665 C ATP 1666 C MG 1667 C

9

1.27

1.27

52.6

-1.42

-0.52

14.5

86

4

2

8

3

4

0

1

ATP 1665 C

10

1.28

1.28

54.0

-1.61

-0.38

17.0

79

5

5

4

3

6

0

0

ATP 1666 C MG 1667 C

11

1.24

2.33

23.2

0.04

0.36

9.4

65

3

0

0

3

4

0

0

12

1.55

1.63

18.3

-0.84

-0.15

13.5

82

2

1

1

3

2

1

0

13

1.38

1.52

19.6

-0.16

-0.08

8.1

77

1

1

1

4

2

1

0

14

1.29

1.55

16.7

-0.27

0.07

10.2

79

1

1

1

4

2

1

0

15

1.18

2.88

15.5

0.32

0.57

6.5

67

1

1

1

4

3

0

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

Tunnels were calculated by

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