 |
PDBsum entry 2qbk
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Tunnel analysis for: 2qbk calculated with  MOLE 2.0
|
PDB id
|
|
|
|
2qbk
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Tunnels calculated on whole structure |
|
Tunnels calculated excluding ligands
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
21 tunnels,
coloured by tunnel radius |
|
19 tunnels,
coloured by
tunnel radius
|
19 tunnels,
coloured as in
list below
|
|
|
|
|
|
Tunnels are interior spaces connected with the protein surrounding. Only channels longer than 15 Å are shown. |
|
|
|
|
|
|
|
Free R
|
|
|
|
|
|
|
Length
|
|
|
|
|
|
|
HPathy
|
|
|
|
|
|
|
HPhob
|
|
|
|
|
|
|
Polar
|
|
|
|
|
|
|
Rel Mut
|
|
|
|
|
|
|
Residue..type
|
|
|
|
|
|
|
Ligands
|
|
|
|
|
|
|
 |
Radius |
 |
1 |
 |
1.40 |
1.40 |
93.0 |
-0.59 |
-0.63 |
7.6 |
86 |
|
4 |
0 |
2 |
2 |
0 |
0 |
0 |
|
C 461 B A 470 B A 471 B A 508 B A 572 B U 573 B A
574 B U 576 B G 577 B G 578 B G 579 B U 1255 B G
1256 B U 1258 B G 1259 B A 1321 B A 2015 B U 2016
B U 2017 B G 2018 B A 2019 B G 2029 B A 2030 B A
2031 B G 2032 B A 2033 B G 2035 B C 2055 B G 2057
B A 2058 B C 2498 B C 2499 B MG 2936 B MG 2969 B
|
 |
|
2 |
 |
1.20 |
1.20 |
104.2 |
-0.41 |
-0.80 |
3.3 |
107 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
G 86 A U 87 A C 88 A A 572 B U 573 B A 574 B C
961 B A 979 B C 982 B G 1002 B G 1003 B G 1025 B
G 1026 B A 1129 B U 1130 B A 1134 B C 1145 B C
1146 B A 1147 B U 1148 B G 2024 B C 2025 B G 2027
B U 2028 B G 2029 B A 2030 B A 2031 B G 2032 B A
2033 B U 2034 B G 2035 B G 2053 B A 2054 B G 2455
B C 2456 B U 2457 B G 2490 B C 2498 B C 2499 B U
2617 B MG 2917 B MG 2928 B
|
|
3 |
 |
1.52 |
1.52 |
111.9 |
-0.68 |
-0.74 |
5.2 |
82 |
1 |
0 |
2 |
1 |
0 |
1 |
0 |
G 15 B C 16 B G 17 B G 524 B U 525 B G 533 B U
534 B G 535 B G 536 B G 537 B A 538 B G 539 B C
540 B C 544 B G 549 B C 550 B G 551 B U 552 B G
553 B U 554 B G 555 B A 556 B A 572 B U 573 B A
574 B A 2020 B C 2021 B U 2022 B G 2029 B A 2030
B A 2031 B G 2032 B A 2033 B U 2034 B G 2035 B C
2045 B A 2054 B C 2055 B C 2498 B C 2499 B U 2615
B C 2616 B MG 2943 B
|
|
4 |
 |
1.41 |
1.41 |
113.6 |
-0.66 |
-0.79 |
5.7 |
79 |
2 |
0 |
1 |
0 |
0 |
0 |
0 |
A 572 B U 573 B A 574 B U 576 B G 577 B G 578 B U
1255 B G 1256 B A 2015 B U 2016 B U 2017 B G 2018
B A 2019 B G 2029 B A 2030 B A 2031 B G 2032 B A
2033 B G 2035 B C 2055 B G 2057 B A 2058 B A 2059
B G 2061 B A 2062 B A 2451 B U 2493 B C 2498 B C
2499 B G 2505 B U 2506 B C 2507 B U 2555 B C 2573
B G 2583 B U 2584 B U 2585 B U 2586 B A 2602 B U
2609 B C 2610 B C 2611 B MG 2936 B
|
|
5 |
 |
1.42 |
1.42 |
116.0 |
-0.71 |
-0.80 |
7.4 |
85 |
0 |
3 |
0 |
0 |
1 |
0 |
0 |
A 572 B U 573 B A 574 B G 1022 B U 1023 B A 1127
B G 1128 B A 1129 B U 1130 B A 1133 B A 1134 B G
2024 B C 2025 B G 2027 B G 2029 B A 2030 B A 2031
B G 2032 B A 2033 B U 2034 B G 2035 B G 2053 B A
2054 B G 2455 B C 2456 B G 2490 B C 2498 B C 2499
B A 2541 B U 2617 B A 2738 B U 2739 B A 2740 B A
2741 B G 2759 B C 2760 B A 2761 B MG 2917 B MG
2928 B
|
|
6 |
 |
1.52 |
1.52 |
121.4 |
-0.98 |
-0.76 |
8.8 |
79 |
4 |
0 |
2 |
0 |
0 |
1 |
0 |
A 529 B A 572 B U 573 B A 574 B A 2020 B C 2021 B
U 2022 B C 2023 B G 2029 B A 2030 B A 2031 B G
2032 B A 2033 B U 2034 B G 2035 B A 2042 B C 2043
B C 2044 B C 2045 B A 2054 B C 2055 B C 2498 B C
2499 B U 2615 B C 2616 B U 2617 B G 2618 B C 2619
B C 2620 B U 2622 B G 2623 B G 2624 B A 2634 B A
2635 B C 2636 B U 2637 B G 2638 B G 2770 B C 2771
B C 2772 B C 2773 B C 2774 B G 2775 B A 2776 B G
2777 B A 2778 B C 2827 B
|
|
7 |
 |
1.50 |
1.50 |
140.4 |
-0.41 |
-0.80 |
3.3 |
107 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
C 88 A A 572 B U 573 B A 574 B A 821 B G 822 B G
836 B C 922 B G 923 B C 935 B A 936 B A 947 B C
948 B G 949 B G 950 B C 951 B G 953 B U 958 B A
960 B C 961 B U 963 B C 964 B C 965 B U 967 B C
968 B A 1129 B U 1130 B A 1134 B G 2024 B C 2025
B G 2027 B U 2028 B G 2029 B A 2030 B A 2031 B G
2032 B A 2033 B U 2034 B G 2035 B G 2053 B A 2054
B G 2269 B A 2270 B G 2355 B U 2356 B G 2455 B C
2456 B U 2457 B G 2490 B C 2498 B C 2499 B U 2617
B MG 2917 B MG 2928 B MG 2932 B
|
|
8 |
 |
1.47 |
1.47 |
148.6 |
-0.58 |
-0.79 |
5.0 |
79 |
2 |
0 |
1 |
0 |
0 |
0 |
0 |
A 572 B U 573 B A 574 B U 576 B G 577 B G 578 B U
741 B A 742 B U 1255 B G 1256 B A 1672 B G 1673 B
C 1675 B A 1690 B C 1691 B U 1765 B G 1766 B G
1767 B C 1768 B U 1769 B A 1977 B A 1978 B U 1979
B G 1980 B A 1981 B U 1982 B G 1983 B C 1986 B A
2015 B U 2016 B U 2017 B G 2018 B A 2019 B G 2029
B A 2030 B A 2031 B G 2032 B A 2033 B G 2035 B C
2055 B G 2057 B A 2058 B A 2059 B A 2062 B C 2498
B C 2499 B G 2505 B G 2581 B G 2582 B U 2584 B U
2586 B G 2607 B G 2608 B U 2609 B C 2610 B C 2611
B MG 2936 B
|
|
9 |
 |
1.40 |
1.40 |
166.8 |
-0.99 |
-0.68 |
10.2 |
79 |
6 |
0 |
2 |
2 |
1 |
0 |
0 |
C 462 B A 572 B U 573 B A 574 B U 576 B G 577 B G
578 B G 579 B A 676 B A 677 B C 678 B C 679 B C
680 B G 681 B G 682 B A 751 B G 775 B G 776 B G
777 B U 790 B A 794 B C 795 B C 796 B U 1255 B G
1256 B U 1258 B G 1259 B A 1614 B A 1808 B A 2015
B U 2016 B U 2017 B G 2018 B A 2019 B G 2029 B A
2030 B A 2031 B G 2032 B A 2033 B G 2035 B C 2055
B G 2057 B A 2058 B U 2079 B A 2080 B U 2081 B A
2082 B G 2083 B U 2231 B C 2232 B U 2233 B G 2234
B G 2235 B U 2236 B G 2237 B C 2498 B C 2499 B MG
2933 B MG 2936 B MG 2969 B
|
|
10 |
 |
1.40 |
1.40 |
183.6 |
-0.84 |
-0.76 |
8.6 |
86 |
4 |
1 |
1 |
1 |
0 |
0 |
0 |
A 572 B U 573 B A 574 B U 576 B G 577 B G 578 B G
579 B A 735 B A 739 B U 741 B G 745 B U 746 B G
748 B A 751 B A 752 B A 753 B U 754 B U 755 B A
756 B G 757 B C 758 B U 1255 B G 1256 B U 1258 B
G 1259 B A 1274 B G 1299 B A 1302 B U 1636 B A
1637 B G 1661 B A 1678 B A 1679 B U 1680 B G 1681
B C 1704 B A 1754 B A 1755 B A 1759 B C 1761 B A
1762 B U 1782 B A 2015 B U 2016 B U 2017 B G 2018
B A 2019 B G 2029 B A 2030 B A 2031 B G 2032 B A
2033 B G 2035 B C 2055 B G 2057 B A 2058 B A 2059
B C 2498 B C 2499 B U 2609 B C 2712 B C 2716 B C
2717 B MG 2936 B MG 2947 B MG 2969 B MG 2971 B
|
|
11 |
 |
1.45 |
1.45 |
187.8 |
-0.93 |
-0.65 |
10.5 |
80 |
8 |
1 |
2 |
2 |
2 |
0 |
0 |
C 462 B A 572 B U 573 B A 574 B U 576 B G 577 B G
578 B G 579 B A 676 B A 677 B C 678 B C 679 B C
680 B G 681 B G 682 B A 751 B G 775 B G 776 B G
777 B U 790 B A 794 B C 795 B C 796 B U 1255 B G
1256 B U 1258 B G 1259 B A 1614 B C 1804 B A 1805
B C 1806 B G 1807 B A 1808 B C 1844 B G 1845 B G
1846 B A 2015 B U 2016 B U 2017 B G 2018 B A 2019
B G 2029 B A 2030 B A 2031 B G 2032 B A 2033 B G
2035 B C 2055 B G 2057 B A 2058 B A 2082 B G 2083
B C 2084 B U 2085 B U 2086 B G 2239 B C 2498 B C
2499 B MG 2933 B MG 2936 B MG 2969 B
|
|
12 |
|
1.33 |
2.20 |
15.0 |
1.88 |
0.27 |
1.1 |
92 |
0 |
0 |
1 |
7 |
0 |
0 |
0 |
|
|
13 |
|
1.21 |
1.60 |
19.6 |
3.67 |
1.03 |
0.5 |
92 |
0 |
0 |
0 |
12 |
0 |
0 |
0 |
|
|
14 |
|
1.31 |
1.44 |
23.8 |
3.60 |
0.99 |
0.5 |
92 |
0 |
0 |
0 |
13 |
0 |
0 |
0 |
|
|
15 |
|
1.31 |
2.29 |
23.9 |
3.48 |
1.05 |
0.6 |
90 |
0 |
0 |
0 |
12 |
1 |
0 |
0 |
|
|
16 |
|
1.10 |
2.89 |
27.7 |
3.46 |
1.02 |
1.0 |
87 |
0 |
1 |
0 |
11 |
0 |
1 |
0 |
|
|
17 |
|
1.61 |
1.61 |
16.9 |
-0.40 |
-0.80 |
3.4 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
G 2107 B A 2108 B G 2141 B A 2142 B C 2143 B G
2144 B C 2145 B U 2149 B C 2150 B U 2151 B A 2183
B
|
|
18 |
|
1.15 |
1.15 |
24.4 |
-0.40 |
-0.80 |
3.4 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
A 2108 B U 2109 B C 2143 B G 2144 B C 2145 B G
2148 B U 2149 B U 2181 B U 2182 B A 2183 B
|
 |
19 |
|
1.16 |
1.16 |
25.1 |
-0.40 |
-0.80 |
3.4 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
G 2107 B A 2108 B G 2141 B A 2142 B C 2143 B G
2144 B C 2145 B G 2148 B U 2149 B C 2150 B U 2151
B A 2183 B
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
 |
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
|
|
|
|
MOLE 2.0 program