PDBsum entry 3pml

Tunnel analysis for: 3pml calculated with

MOLE 2.0

PDB id

3pml

Tunnels calculated on whole structure

Tunnels calculated excluding ligands

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MOLEonline 2.0 manipulation
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visualization
with HETATM:

without HETATM:

8 tunnels, coloured by tunnel radius

8 tunnels, coloured by tunnel radius

8 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

1.27

1.43

30.3

0.25

0.00

10.1

83

1

1

1

4

1

0

0

DA 8 C DC 9 C DT 10 C DG 11 C DG 3 H DT 4 H DA 5
H DC 6 H

2

1.46

2.29

37.5

-0.62

-0.13

17.0

80

3

4

1

3

2

1

0

DC 9 E DT 10 E DG 11 E DC 6 H

3

1.50

2.32

38.5

-0.28

-0.01

18.4

79

2

4

1

4

2

2

0

DA 8 E DC 9 E DT 10 E DG 11 E DC 1 F DC 6 H

4

1.49

2.33

49.7

-0.47

-0.15

16.4

78

3

6

1

4

2

3

0

DA 8 C DC 9 C DT 10 C DG 11 C DA 8 E DC 6 H

5

1.44

2.30

50.2

-0.52

-0.06

17.6

73

3

4

0

4

3

2

0

DG 3 E DT 7 E DA 8 E DC 9 E DC 1 F DA 2 F DC 6 H

6

1.48

2.36

51.3

-0.81

-0.30

16.5

76

4

4

1

3

2

2

0

DT 7 C DA 8 C DG 2 E DG 3 E DG 6 E DT 7 E DA 8 E
DC 9 E DC 6 H

7

1.45

2.25

59.6

-0.52

-0.14

14.7

74

3

4

1

4

3

3

0

DC 4 C DG 6 C DT 7 C DA 8 C DT 7 E DA 8 E DC 9 E
DA 2 H DG 3 H DC 6 H

8

1.33

1.33

71.3

-0.67

-0.18

18.7

83

4

6

2

6

2

1

0

DT 7 E DA 8 E DC 9 E DT 10 E DG 11 E DG 3 F DT 4
F DA 5 F DC 6 F DC 6 H

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.