 |
PDBsum entry 3d1n
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
|
|
|
|
|
|
|
|
|
|
Pore analysis for: 3d1n calculated with MOLE 2.0
|
PDB id
|
|
|
|
3d1n
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
Pores calculated on whole structure |
 |
Pores calculated excluding ligands
|
|
|
 |
 |
 |
 |
 |
|
 |
|
|
|
 |
 |
|
 |
|
|
|
 |
27 pores,
coloured by radius |
 |
24 pores,
coloured by radius
|
24 pores,
coloured as in list below
|
|
|
 |
 |
 |
Pores are connected internal spaces going through the structure. Only pores longer than 25 Å are shown. |
|
|
 |
|
|
|
 |
Free R
|
 |
|
|
|
|
 |
Length
|
 |
|
|
|
|
 |
HPathy
|
 |
|
|
|
|
 |
HPhob
|
 |
|
|
|
|
 |
Polar
|
 |
|
|
|
|
 |
Rel Mut
|
 |
|
|
|
|
 |
Residue..type
|
 |
|
|
|
|
 |
Ligands
|
 |
|
|
|
|
|
 |
Radius |
 |
1 |
 |
1.62 |
1.62 |
27.3 |
-0.04 |
-0.20 |
5.9 |
79 |
 |
1 |
0 |
2 |
2 |
3 |
1 |
0 |
 |
DT 5 C DA 6 C DC 13 D
|
 |
 |
2 |
 |
1.22 |
1.40 |
29.0 |
1.08 |
0.16 |
4.3 |
82 |
1 |
1 |
1 |
3 |
2 |
0 |
0 |
DT 4 D DT 5 D MSE 267 K
|
 |
3 |
 |
1.31 |
2.51 |
32.0 |
0.07 |
-0.10 |
7.5 |
81 |
1 |
2 |
2 |
2 |
3 |
0 |
0 |
DA 6 C DA 7 C DA 8 C DT 9 C DA 3 D DT 4 D
|
 |
4 |
 |
1.50 |
2.78 |
43.0 |
0.41 |
0.46 |
4.7 |
72 |
1 |
0 |
0 |
7 |
2 |
1 |
0 |
DA 14 C DA 3 D DT 4 D DT 5 D MSE 172 I
|
 |
5 |
 |
2.10 |
2.13 |
48.3 |
-1.89 |
-0.78 |
14.9 |
89 |
3 |
2 |
5 |
0 |
0 |
0 |
0 |
DA 4 C DT 5 C DT 7 D DT 8 D MSE 224 L
|
 |
6 |
 |
1.64 |
2.33 |
54.4 |
0.40 |
0.26 |
4.2 |
70 |
1 |
1 |
0 |
6 |
3 |
1 |
0 |
DA 13 A DA 14 A DT 1 B DT 2 B DA 3 B DT 4 B DT 5 B DT 1 D DT 2 D DA 3 D DT 4 D MSE 172 K
|
 |
7 |
 |
1.33 |
1.39 |
61.7 |
-1.59 |
-0.60 |
11.3 |
90 |
4 |
1 |
7 |
1 |
0 |
0 |
0 |
DA 4 E DT 5 E DA 6 E DT 12 E DT 7 F DT 8 F DT 9 F DT 14 F MSE 224 N
|
 |
8 |
 |
1.23 |
1.23 |
65.6 |
-1.36 |
-0.59 |
12.6 |
83 |
3 |
2 |
6 |
2 |
3 |
0 |
0 |
DT 5 C DA 6 C DA 7 C DT 7 D DT 8 D MSE 224 L
|
 |
9 |
 |
1.31 |
2.41 |
67.5 |
0.92 |
0.59 |
5.1 |
75 |
2 |
1 |
0 |
14 |
5 |
0 |
0 |
DA 13 A DA 14 A DT 1 B DA 14 C MSE 172 I MSE 172 K
|
 |
10 |
 |
2.10 |
2.11 |
76.0 |
-1.09 |
-0.54 |
10.4 |
88 |
4 |
0 |
5 |
2 |
0 |
1 |
0 |
DA 4 C DT 5 C DA 14 C DA 3 D DT 4 D DT 5 D DA 6 D DT 7 D DT 8 D
|
 |
11 |
 |
1.48 |
2.79 |
78.3 |
-0.95 |
-0.25 |
12.7 |
74 |
4 |
2 |
3 |
7 |
2 |
2 |
0 |
DT 12 C DA 13 C DA 14 C DT 5 D DA 6 D DT 7 D MSE 172 I MSE 224 L
|
 |
12 |
 |
1.71 |
2.54 |
92.5 |
-0.88 |
-0.28 |
16.4 |
77 |
4 |
4 |
3 |
6 |
3 |
1 |
0 |
DA 13 A DA 14 A DT 12 C MSE 172 K MSE 224 L
|
 |
13 |
 |
1.69 |
2.64 |
105.1 |
-0.63 |
-0.34 |
12.6 |
82 |
5 |
3 |
3 |
7 |
3 |
1 |
0 |
DA 13 A DA 14 A DA 4 C DT 5 C DT 12 C DT 7 D DT 8 D MSE 172 K
|
 |
14 |
 |
1.37 |
1.39 |
110.5 |
-1.60 |
-0.74 |
12.9 |
85 |
6 |
2 |
4 |
0 |
0 |
2 |
0 |
DA 4 E DT 5 E DA 6 E DT 12 E DA 6 F DT 7 F DT 8 F DT 9 F DT 14 F DT 12 G DA 13 G DT 5 H DA 6 H
|
 |
15 |
 |
2.48 |
2.49 |
122.0 |
-1.50 |
-0.63 |
15.6 |
83 |
8 |
3 |
5 |
1 |
0 |
2 |
0 |
DT 12 E DA 6 F DT 7 F DT 8 F DT 12 G DA 13 G DT 5 H DA 6 H MSE 224 N
|
 |
16 |
 |
1.18 |
1.25 |
128.1 |
-0.36 |
-0.18 |
11.0 |
78 |
5 |
4 |
3 |
10 |
6 |
1 |
0 |
DA 13 A DA 14 A DT 5 C DA 6 C DA 7 C DT 12 C DT 7 D DT 8 D MSE 172 K
|
 |
17 |
 |
2.07 |
2.07 |
129.5 |
-2.07 |
-0.76 |
19.1 |
81 |
6 |
5 |
8 |
0 |
0 |
2 |
0 |
DT 12 A DA 6 B DT 7 B DT 8 B DT 12 C MSE 224 J MS E 224 L
|
 |
18 |
 |
1.61 |
2.42 |
147.6 |
-1.10 |
-0.26 |
13.1 |
79 |
9 |
4 |
11 |
9 |
3 |
1 |
0 |
DT 12 A DA 14 A DT 5 B DA 6 B DT 7 B DT 8 B MSE 224 J MSE 172 K
|
 |
19 |
 |
1.34 |
2.27 |
154.9 |
-1.43 |
-0.40 |
16.2 |
82 |
8 |
5 |
9 |
10 |
2 |
1 |
0 |
DT 12 A DA 13 A DA 14 A DT 1 B DA 6 B DT 7 B DT 8 B DA 14 C MSE 172 I MSE 224 J
|
 |
20 |
 |
1.97 |
1.98 |
182.2 |
-1.76 |
-0.67 |
16.1 |
85 |
10 |
6 |
11 |
3 |
0 |
2 |
0 |
DT 12 A DA 6 B DT 7 B DT 8 B DA 4 C DT 5 C DT 12 C DT 7 D DT 8 D MSE 224 J
|
 |
21 |
 |
2.14 |
2.15 |
185.2 |
-1.66 |
-0.62 |
16.2 |
82 |
10 |
6 |
9 |
4 |
0 |
3 |
0 |
DT 12 A DA 6 B DT 7 B DT 8 B DT 12 C DA 13 C DA 14 C DA 3 D DT 4 D DT 5 D DA 6 D DT 7 D MSE 224 J
|
 |
22 |
 |
1.20 |
1.74 |
224.9 |
-0.76 |
-0.11 |
11.4 |
77 |
9 |
5 |
11 |
14 |
6 |
1 |
0 |
DT 12 A DA 14 A DT 5 B DA 6 B DT 7 B DT 8 B DA 4 G DT 5 G DT 7 H DT 8 H MSE 224 J MSE 172 K MSE 172 P MSE 224 P
|
 |
23 |
 |
1.59 |
2.95 |
245.2 |
-1.02 |
-0.35 |
11.6 |
79 |
11 |
4 |
12 |
10 |
3 |
1 |
0 |
DT 12 A DA 14 A DT 5 B DA 6 B DT 7 B DT 8 B DA 4 G DT 5 G DT 12 G DA 13 G DT 5 H DA 6 H DT 7 H DT 8 H MSE 224 J MSE 172 K MSE 224 P
|
 |
24 |
 |
2.19 |
2.54 |
33.0 |
-2.92 |
-0.64 |
27.7 |
74 |
2 |
5 |
2 |
1 |
1 |
1 |
0 |
MSE 267 I
|
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
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
|
|
|
 |