PDBsum entry 3df2

Pore analysis for: 3df2 calculated with

MOLE 2.0

PDB id

3df2

Pores calculated on whole structure

Pores calculated excluding ligands

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30 pores, coloured by radius

30 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

3.03

30.7

-0.40

-0.80

3.4

C 1293 B U 1442 B U 1443 B C 1463 B G 1464 B G
1529 B G 1628 B U 1629 B A 1630 B A 1640 B A 1641
B U 2698 B C 2699 B A 2700 B U 2701 B C 2704 B

2.51

34.2

-0.40

-0.80

3.4

A 1383 B A 1384 B C 1404 B U 1405 B U 1406 B G
1407 B C 1574 B C 1575 B A 1590 B A 1591 B C 1592
B A 1593 B U 1594 B C 1595 B A 1596 B

2.08

2.07

45.3

-1.19

-0.74

10.5

A 1630 B C 1708 B U 1709 B G 2694 B U 2695 B U
2696 B G 2697 B U 2698 B C 2704 B A 2705 B A 2706
B U 2849 B A 2850 B A 2851 B U 2861 B G 2862 B C
2863 B G 2864 B G 2867 B

3.00

48.1

-0.40

-0.80

3.4

G 1281 B C 1290 B C 1291 B G 1292 B C 1293 B U
1316 B G 1317 B G 1529 B C 1536 B G 1537 B G 1538
B A 1641 B G 1642 B G 1643 B U 2701 B

3.24

53.3

-0.63

-0.75

6.9

G 1281 B U 1282 B C 1290 B U 1316 B G 1317 B U
1318 B C 1330 B G 1343 B A 1392 B C 1399 B U 1400
B G 1401 B U 1402 B A 1403 B C 1404 B A 1535 B C
1536 B G 1537 B G 1538 B U 1539 B G 1540 B C 1541
B U 1594 B C 1595 B

3.40

56.1

-0.40

-0.80

3.4

G 1343 B G 1389 B U 1390 B C 1399 B U 1400 B G
1401 B U 1402 B A 1403 B C 1404 B G 1441 B U 1442
B U 1443 B C 1463 B G 1464 B G 1465 B U 1466 B C
1526 B G 1527 B A 1528 B U 1539 B C 1541 B U 1542
B U 1594 B C 1595 B G 1627 B G 1628 B U 1629 B A
1630 B A 1640 B A 1641 B G 1642 B U 2698 B C 2699
B A 2700 B C 2704 B

4.58

66.4

-0.40

-0.80

3.4

C 1293 B A 1304 B C 1305 B A 1383 B A 1384 B A
1385 B C 1386 B A 1387 B G 1388 B G 1389 B U 1390
B U 1391 B U 1396 B U 1406 B G 1471 B U 1513 B G
1514 B A 1515 B G 1516 B G 1527 B A 1528 B G 1529
B G 1538 B U 1539 B G 1555 B C 1556 B C 1557 B U
1559 B C 1574 B U 1624 B C 1625 B A 1641 B G 1642
B

3.90

75.3

-0.40

-0.80

3.4

A 1304 B A 1383 B A 1384 B A 1385 B C 1386 B A
1387 B G 1388 B U 1396 B U 1406 B A 1439 B U 1440
B G 1441 B U 1442 B U 1443 B C 1463 B G 1464 B G
1465 B U 1466 B U 1467 B G 1471 B U 1513 B G 1514
B A 1515 B G 1516 B G 1555 B C 1556 B C 1557 B U
1559 B C 1574 B C 1625 B G 1627 B G 1628 B U 1629
B A 1630 B A 1640 B A 1641 B U 2698 B C 2699 B A
2700 B C 2704 B

3.12

78.3

-0.40

-0.80

3.4

G 1280 B G 1281 B C 1290 B C 1291 B U 1316 B G
1317 B G 1388 B G 1389 B U 1390 B U 1391 B A 1393
B U 1440 B G 1441 B U 1442 B U 1443 B C 1463 B G
1464 B G 1465 B U 1466 B U 1467 B G 1527 B C 1536
B G 1537 B G 1538 B G 1627 B G 1628 B U 1629 B A
1630 B A 1640 B A 1641 B G 1642 B G 1643 B U 2698
B C 2699 B A 2700 B C 2704 B

3.04

87.8

-0.40

-0.80

3.4

G 1281 B C 1290 B C 1291 B A 1304 B C 1305 B U
1316 B G 1317 B A 1383 B A 1384 B A 1385 B C 1386
B A 1387 B G 1388 B G 1389 B U 1390 B U 1391 B A
1393 B U 1396 B U 1406 B G 1471 B U 1513 B G 1514
B A 1515 B G 1516 B C 1536 B G 1537 B G 1538 B G
1555 B C 1556 B C 1557 B U 1559 B C 1574 B U 1624
B C 1625 B G 1642 B G 1643 B

1.41

89.2

-0.58

-0.59

11.1

A 1383 B A 1384 B U 1406 B G 1424 B G 1425 B U
1481 B G 1482 B G 1483 B C 1489 B A 1490 B C 1499
B G 1500 B G 1501 B A 1502 B C 1512 B U 1513 B G
1573 B C 1574 B C 1575 B

1.35

1.62

101.6

-0.37

-0.65

6.2

A 91 B U 92 B A 478 B A 479 B A 480 B G 481 B C
490 B G 491 B A 492 B G 493 B G 500 B A 507 B A
508 B G 1280 B G 1281 B U 1282 B G 1283 B C 1290
B U 1318 B C 1319 B C 1320 B A 1321 B C 1330 B C
1536 B G 1537 B

1.36

1.73

113.6

-0.79

-0.57

13.5

A 1630 B G 1663 B A 1664 B A 1665 B U 1709 B C
2649 B U 2650 B C 2651 B U 2672 B G 2673 B U 2684
B G 2685 B G 2686 B U 2687 B G 2688 B U 2690 B C
2691 B G 2692 B G 2693 B G 2694 B U 2695 B U 2696
B G 2697 B U 2698 B C 2704 B A 2705 B U 2707 B G
2708 B G 2709 B C 2710 B U 2713 B G 2714 B C 2715
B C 2717 B G 2718 B G 2719 B A 2727 B U 2728 B

2.50

137.9

-0.92

-0.74

10.7

G 121 B G 122 B A 131 B G 132 B U 150 B C 151 B A
152 B U 154 B A 155 B A 156 B U 166 B A 167 B G
168 B G 169 B U 170 B U 171 B A 371 B C 1349 B C
1350 B C 1351 B A 1359 B A 1373 B G 1374 B U 1375
B A 1383 B A 1384 B U 1406 B G 1407 B A 1420 B U
1513 B G 1573 B C 1574 B

2.32

147.0

-0.44

-0.78

4.3

A 131 B G 132 B C 1349 B C 1350 B C 1351 B U 1352
B A 1353 B A 1354 B U 1372 B A 1373 B G 1374 B U
1375 B A 1383 B A 1384 B U 1406 B G 1407 B A 1420
B G 1421 B U 1513 B A 1571 B G 1573 B C 1574 B A
1801 B A 1802 B A 1803 B G 1807 B U 1812 B G 1813
B G 1814 B A 1815 B C 1816 B C 2084 B U 2085 B U
2086 B G 2087 B A 2088 B C 2089 B A 2090 B A 2094
B A 2095 B C 2096 B U 2187 B U 2188 B U 2189 B G
2190 B A 2191 B U 2192 B G 2193 B U 2203 B U 2213
B C 2226 B A 2227 B G 2228 B U 2229 B

1.95

149.7

-0.52

-0.50

11.1

G 1424 B G 1425 B G 1482 B C 1489 B A 1490 B G
1491 B G 1492 B C 1493 B G 1500 B G 1501 B A 1502
B A 1801 B A 1802 B A 1803 B G 1807 B U 1812 B G
1813 B G 1814 B A 1815 B C 1816 B C 2084 B U 2085
B U 2086 B G 2087 B A 2088 B C 2089 B A 2090 B A
2094 B A 2095 B C 2096 B U 2187 B U 2188 B U 2189
B G 2190 B A 2191 B U 2192 B G 2193 B U 2203 B A
2205 B U 2213 B C 2226 B A 2227 B G 2228 B U 2229
B

1.86

162.9

-0.65

-0.56

9.7

U 34 B U 90 B A 91 B A 125 B U 328 B G 329 B C
455 B C 456 B C 461 B A 471 B A 472 B G 473 B G
474 B C 475 B G 476 B A 477 B A 478 B A 479 B G
500 B A 508 B C 1306 B A 1307 B A 1308 B G 1311 B
U 1312 B A 1322 B C 1323 B G 1333 B G 1334 B G
1346 B A 1347 B U 1379 B G 1380 B G 1381 B G 1382
B A 1383 B A 1384 B U 1406 B U 1513 B G 1514 B A
1515 B C 1556 B C 1557 B U 1559 B C 1574 B G 1601
B G 1623 B U 1624 B

1.24

1.69

169.2

-0.94

-0.62

13.4

U 755 B A 756 B G 757 B A 1272 B A 1274 B G 1280
B G 1281 B C 1289 B C 1290 B C 1298 B G 1299 B A
1302 B C 1315 B U 1316 B G 1317 B G 1331 B G 1332
B C 1536 B G 1537 B A 1608 B A 1609 B G 1619 B A
1637 B C 1644 B G 1645 B C 1646 B G 1661 B G 1663
B A 1664 B A 1665 B A 1678 B A 1679 B U 1680 B G
1681 B A 1754 B A 1755 B A 1759 B C 1761 B A 1762
B U 1991 B U 2672 B G 2673 B U 2684 B G 2685 B G
2686 B C 2712 B C 2716 B C 2717 B G 2718 B A 2727
B U 2728 B MG 3394 B

1.56

1.58

178.1

-0.61

-0.62

10.2

G 121 B G 122 B A 131 B G 132 B U 150 B C 151 B A
152 B U 154 B A 155 B A 156 B U 166 B A 167 B G
168 B G 169 B U 170 B U 171 B C 1349 B C 1350 B C
1351 B A 1359 B A 1373 B G 1374 B U 1375 B C 1404
B U 1405 B U 1406 B G 1407 B G 1408 B A 1420 B G
1573 B C 1574 B G 1588 B U 1589 B A 1590 B A 1591
B C 1592 B A 1593 B U 1594 B C 1595 B A 1596 B

1.51

1.65

175.2

-0.67

-0.68

9.9

U 755 B A 756 B G 757 B A 1272 B A 1274 B C 1293
B C 1298 B G 1299 B A 1302 B G 1303 B A 1304 B C
1305 B C 1315 B U 1390 B U 1391 B A 1393 B G 1527
B A 1528 B G 1529 B G 1538 B U 1539 B C 1605 B C
1606 B A 1608 B A 1609 B G 1619 B A 1637 B A 1641
B G 1642 B G 1643 B C 1644 B C 1646 B G 1661 B G
1663 B A 1664 B A 1665 B A 1678 B A 1679 B U 1680
B G 1681 B A 1754 B A 1755 B A 1759 B C 1761 B A
1762 B U 1991 B C 2649 B U 2650 B C 2651 B U 2672
B G 2673 B U 2684 B G 2685 B G 2686 B U 2701 B C
2712 B C 2716 B C 2717 B G 2718 B A 2727 B U 2728
B MG 3212 B MG 3394 B

2.52

183.3

-0.57

-0.78

5.8

C 32 B C 33 B U 34 B G 88 B A 89 B U 90 B A 91 B
C 106 B G 295 B G 325 B G 326 B C 337 B A 439 B C
440 B U 441 B G 442 B G 446 B C 455 B C 456 B A
472 B G 473 B G 474 B C 475 B G 476 B A 479 B C
490 B G 491 B A 492 B G 493 B A 508 B A 1165 B G
1166 B G 1193 B A 1194 B G 1195 B C 1196 B G 1197
B U 1198 B U 1199 B C 1200 B U 1201 B G 1239 B U
1240 B A 1241 B U 1242 B A 1244 B G 1245 B G 1280
B G 1281 B U 1282 B G 1283 B C 1290 B U 1318 B C
1319 B C 1320 B A 1321 B C 1330 B C 1536 B G 1537
B

2.42

195.9

-0.64

-0.71

8.0

C 32 B C 33 B U 34 B G 35 B G 36 B G 54 B G 55 B
A 56 B C 57 B C 66 B U 67 B G 68 B C 106 B A 125
B G 295 B G 325 B G 326 B C 337 B C 436 B U 437 B
G 438 B A 439 B C 440 B U 441 B G 442 B G 446 B G
458 B A 1165 B G 1166 B G 1193 B A 1194 B G 1195
B C 1196 B G 1197 B U 1198 B U 1199 B C 1200 B U
1201 B G 1239 B U 1240 B A 1241 B U 1242 B A 1244
B G 1245 B C 1306 B A 1307 B A 1308 B G 1311 B G
1346 B A 1347 B U 1379 B G 1380 B G 1381 B G 1382
B A 1383 B A 1384 B U 1406 B U 1513 B G 1514 B A
1515 B C 1556 B C 1557 B U 1559 B C 1574 B G 1601
B G 1623 B U 1624 B

1.27

1.73

205.2

-0.75

-0.66

10.3

U 755 B A 756 B G 757 B A 1272 B A 1274 B C 1298
B G 1299 B A 1302 B G 1303 B A 1304 B C 1305 B C
1315 B A 1383 B A 1384 B A 1385 B C 1386 B A 1387
B G 1388 B G 1389 B U 1390 B U 1391 B A 1393 B U
1396 B U 1406 B G 1471 B U 1513 B G 1514 B A 1515
B G 1516 B G 1555 B C 1556 B C 1557 B U 1559 B C
1574 B C 1605 B C 1606 B A 1608 B A 1609 B G 1619
B U 1624 B C 1625 B A 1637 B G 1642 B G 1643 B C
1644 B C 1646 B G 1661 B G 1663 B A 1664 B A 1665
B A 1678 B A 1679 B U 1680 B G 1681 B A 1754 B A
1755 B A 1759 B C 1761 B A 1762 B U 1991 B U 2672
B G 2673 B U 2684 B G 2685 B G 2686 B C 2712 B C
2716 B C 2717 B G 2718 B A 2727 B U 2728 B MG
3394 B

1.95

2.07

203.8

-0.59

-0.70

6.8

U 34 B G 35 B G 36 B G 54 B U 67 B G 68 B C 106 B
A 181 B A 182 B C 183 B C 184 B G 185 B G 186 B A
204 B G 205 B U 206 B A 207 B A 219 B G 220 B A
221 B A 222 B A 223 B U 235 B C 236 B C 237 B G
271 B G 295 B G 326 B G 327 B U 328 B G 329 B C
337 B A 368 B U 369 B G 370 B A 371 B A 382 B C
383 B C 393 B C 394 B U 403 B A 404 B C 421 B A
422 B A 423 B G 424 B G 425 B C 433 B C 435 B C
436 B U 437 B G 438 B G 452 B A 453 B G 458 B A
477 B A 478 B G 500 B A 668 B G 799 B

2.67

213.9

-0.71

-0.60

9.3

A 460 B C 461 B C 462 B A 470 B A 471 B C 490 B G
491 B A 492 B G 493 B A 508 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 1258 B G 1259 B G 1280 B G 1281 B U 1282
B G 1283 B C 1290 B U 1318 B C 1319 B C 1320 B A
1321 B C 1330 B C 1536 B G 1537 B A 1808 B A 2082
B G 2083 B U 2085 B U 2086 B G 2087 B A 2088 B C
2089 B A 2090 B A 2094 B A 2095 B C 2096 B U 2187
B U 2188 B U 2189 B G 2190 B A 2191 B U 2192 B G
2193 B C 2226 B A 2227 B G 2228 B U 2229 B G 2230
B U 2231 B C 2232 B U 2233 B

2.61

230.9

-0.59

-0.79

5.6

A 119 B G 121 B G 122 B G 123 B A 131 B G 132 B A
149 B U 150 B G 178 B C 179 B G 180 B A 181 B A
182 B C 183 B A 207 B C 208 B C 209 B C 210 B C
211 B G 212 B C 238 B C 433 B A 590 B U 591 B A
592 B U 593 B U 594 B C 595 B U 596 B G 597 B U
598 B A 608 B A 609 B A 655 B G 656 B U 657 B U
658 B G 659 B C 660 B A 668 B G 797 B G 798 B G
799 B G 841 B U 842 B G 843 B A 1165 B G 1166 B C
1167 B G 1193 B A 1194 B G 1195 B C 1349 B C 1350
B C 1351 B G 1358 B A 1359 B G 1360 B A 1367 B G
1368 B G 1374 B U 1375 B C 1404 B U 1405 B U 1406
B G 1407 B G 1408 B A 1420 B G 1573 B C 1574 B G
1588 B U 1589 B A 1590 B A 1591 B C 1592 B A 1593
B U 1594 B C 1595 B A 1596 B

1.92

247.3

-0.66

8.3

A 460 B C 461 B C 462 B A 470 B A 471 B C 490 B G
491 B A 492 B G 493 B A 508 B A 751 B A 752 B U
1258 B G 1259 B G 1280 B G 1281 B U 1282 B G 1283
B C 1290 B U 1318 B C 1319 B C 1320 B A 1321 B C
1330 B C 1536 B G 1537 B A 2058 B A 2059 B G 2061
B A 2062 B A 2451 B C 2452 B A 2453 B C 2462 B C
2463 B U 2492 B U 2493 B G 2494 B G 2505 B U 2506
B C 2520 B C 2521 B U 2533 B A 2534 B G 2535 B G
2536 B U 2537 B U 2555 B C 2556 B G 2557 B U 2563
B A 2565 B A 2566 B G 2567 B U 2568 B G 2569 B C
2573 B U 2584 B U 2585 B A 2602 B U 2609 B C 2610
B C 2611 B C 2649 B U 2650 B C 2651 B G 2664 B

1.90

278.0

-0.63

-0.64

8.7

A 125 B A 460 B C 461 B C 462 B A 470 B A 751 B A
752 B U 1258 B G 1259 B C 1306 B A 1307 B A 1308
B G 1311 B U 1312 B C 1323 B G 1333 B G 1334 B G
1346 B A 1347 B U 1379 B G 1380 B G 1381 B G 1382
B A 1383 B A 1384 B U 1406 B U 1513 B G 1514 B A
1515 B C 1556 B C 1557 B U 1559 B C 1574 B G 1601
B G 1623 B U 1624 B A 2058 B A 2059 B G 2061 B A
2062 B A 2451 B C 2452 B A 2453 B C 2462 B C 2463
B U 2492 B U 2493 B G 2494 B G 2505 B U 2506 B C
2520 B C 2521 B A 2534 B G 2535 B G 2536 B U 2555
B C 2556 B G 2557 B U 2563 B A 2565 B A 2566 B G
2567 B U 2568 B G 2569 B C 2573 B U 2584 B U 2585
B A 2602 B U 2609 B C 2610 B C 2611 B C 2649 B U
2650 B C 2651 B G 2664 B

2.29

344.7

-0.71

8.5

C 12 A G 13 A C 68 A G 69 A C 71 A G 102 A U 103
A G 54 B G 55 B A 56 B C 57 B C 66 B U 67 B A 125
B A 181 B A 182 B C 183 B A 207 B C 238 B C 433 B
C 435 B C 436 B G 452 B A 453 B G 458 B A 590 B U
591 B A 592 B U 593 B U 594 B C 595 B U 596 B A
608 B A 609 B C 650 B G 651 B A 654 B G 656 B U
657 B U 658 B G 659 B C 660 B A 668 B G 799 B G
836 B C 837 B A 849 B U 850 B C 851 B U 852 B C
853 B C 854 B G 855 B G 856 B G 857 B G 858 B G
859 B A 866 B C 903 B G 904 B A 905 B G 914 B C
915 B G 916 B A 917 B A 918 B U 919 B C 921 B C
922 B U 934 B C 935 B A 936 B C 937 B C 968 B C
1306 B A 1307 B A 1308 B G 1311 B G 1346 B A 1347
B U 1379 B G 1380 B G 1381 B G 1382 B A 1383 B A
1384 B A 1385 B U 1406 B U 1513 B G 1514 B A 1515
B C 1556 B C 1557 B U 1559 B C 1574 B G 1601 B G
1623 B U 1624 B G 2269 B A 2270 B G 2319 B U 2320
B G 2355 B U 2356 B G 2357 B C 2359 B

2.35

2.34

391.5

-0.74

-0.70

8.7

C 12 A G 13 A G 16 A C 17 A C 30 A C 31 A U 32 A
A 45 A A 53 A G 54 A A 58 A A 59 A C 60 A C 71 A
U 34 B G 35 B G 36 B G 54 B C 66 B U 67 B G 68 B
G 88 B A 89 B U 90 B A 181 B A 182 B C 183 B A
207 B C 238 B C 433 B C 435 B C 436 B G 452 B A
453 B C 455 B C 456 B G 458 B A 472 B G 473 B G
474 B C 490 B G 491 B A 492 B G 493 B A 508 B A
590 B U 591 B A 592 B U 593 B U 594 B C 595 B U
596 B A 608 B A 609 B C 650 B G 651 B A 654 B G
656 B U 657 B U 658 B G 659 B C 660 B A 668 B G
799 B G 836 B C 837 B A 849 B U 850 B C 851 B U
852 B C 853 B C 854 B G 855 B G 856 B G 857 B G
858 B G 859 B G 914 B C 915 B G 916 B A 917 B A
918 B U 919 B C 921 B C 922 B U 934 B C 935 B A
936 B C 937 B C 968 B G 1280 B G 1281 B U 1282 B
G 1283 B C 1290 B U 1318 B C 1319 B C 1320 B A
1321 B C 1330 B C 1536 B G 1537 B G 2269 B A 2270
B G 2316 B A 2317 B G 2319 B U 2320 B G 2355 B U
2356 B G 2357 B C 2359 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

Acknowledgement

Pores were calculated by

MOLE 2.0 program version 2.5.13.11.08 and visualized using Pymol 0.97rc.