PDBsum entry 4mq1

Pore analysis for: 4mq1 calculated with

MOLE 2.0

PDB id

4mq1

Pores calculated on whole structure

Pores calculated excluding ligands

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without HETATM:

6 pores, coloured by radius

11 pores, coloured by radius

11 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

1.95

3.10

30.0

-0.79

-0.10

2.6

78

0

1

3

3

2

2

0

2

2.76

3.04

35.5

-1.87

-0.49

21.3

83

3

2

3

2

3

0

0

SO4 504 A SO4 505 B

3

1.23

1.53

42.2

-0.78

-0.35

10.0

78

1

1

3

4

2

1

1

4

2.30

2.56

45.9

-2.10

-0.45

27.2

82

5

2

4

3

1

0

0

SO4 504 A

5

1.46

2.93

50.6

-0.84

-0.19

14.3

85

5

4

7

6

1

1

0

2C3 501 B 1PE 502 B

6

1.63

1.88

52.9

-0.85

-0.18

6.5

81

1

1

3

2

2

2

0

SO4 504 A

7

1.23

1.53

66.5

-1.58

-0.41

15.5

72

5

2

2

4

2

2

1

8

1.64

1.88

79.7

-1.60

-0.41

18.7

80

4

3

4

4

3

2

0

SO4 504 A SO4 505 B

9

1.67

1.90

86.8

-1.80

-0.36

22.5

77

7

3

4

5

2

2

0

SO4 504 A

10

1.93

2.02

70.8

-0.85

-0.14

13.3

80

5

2

6

4

5

1

1

PTR 321 A 2C3 501 A 1PE 502 A SO4 505 A

11

1.31

1.56

50.8

-0.79

-0.14

12.0

82

3

4

5

2

4

0

1

PTR 321 C 2C3 501 C SO4 503 C

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.