PDBsum entry 2vpy

Tunnel analysis for: 2vpy calculated with

MOLE 2.0

PDB id

2vpy

Tunnels calculated on whole structure

Tunnels calculated excluding ligands

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MOLEonline 2.0 manipulation
and
visualization
with HETATM:

without HETATM:

5 tunnels, coloured by tunnel radius

12 tunnels, coloured by tunnel radius

12 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

1.56

1.73

56.8

-0.97

-0.30

16.9

84

7

3

4

4

2

3

1

MGD 1765 A MGD 1766 A MO 1767 A

2

1.75

2.99

56.7

-0.96

-0.30

16.7

84

7

3

4

4

2

3

1

MGD 1765 A MGD 1766 A MO 1767 A

3

1.17

2.08

60.0

-1.59

-0.19

22.5

79

10

5

3

3

5

1

1

MGD 1765 A MGD 1766 A MO 1767 A

4

1.20

2.00

59.9

-1.63

-0.21

22.4

80

10

5

3

3

4

1

1

MGD 1765 A MGD 1766 A MO 1767 A

5

1.15

1.90

76.7

-1.55

-0.21

22.2

82

11

6

2

4

3

3

1

MGD 1765 A MGD 1766 A MO 1767 A

6

1.26

1.86

78.9

-1.57

-0.18

23.0

82

11

6

2

4

3

3

1

MGD 1765 A MGD 1766 A MO 1767 A

7

1.16

1.16

85.6

-0.90

0.04

20.2

77

12

4

4

6

6

1

5

SF4 1764 E MGD 1765 E MGD 1766 E MO 1767 E

8

1.48

1.80

24.1

-0.27

0.00

4.9

74

1

1

4

3

2

1

4

SF4 1195 B

9

1.48

1.51

24.7

-0.51

-0.03

5.4

74

1

1

3

3

3

2

4

SF4 1195 B

10

1.48

1.56

26.2

-0.53

0.03

5.6

71

2

2

4

2

3

2

4

SF4 1195 B

11

1.49

1.53

26.7

-0.62

0.00

5.6

71

2

2

3

2

4

3

4

SF4 1195 B

12

1.21

2.68

18.5

-1.45

0.08

36.3

84

3

3

0

4

0

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.