Unnamed: 0
int64 0
369
| UNP_ACC
stringlengths 6
10
| UNP_START
int64 1
609
| UNP_END
int64 161
2.93k
| PDBe_ID
stringlengths 4
4
| CHAIN_ID
stringclasses 12
values | label_asym_id
stringclasses 12
values | CONFORMER_ID
int64 1
5
| CONFORMER_DESCR
stringclasses 15
values | LIT_CONFIRMED
int64 0
1
| ALT_CONFORMER_ID
float64 1
4
⌀ | ALT_CONFORMER_DESCR
stringclasses 5
values | NOTES
stringclasses 26
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | A0A075Q0W3 | 39 | 678 | 6mka | A | A | 1 | open | 1 | 1 | null | The structures between open and beta-lactam-bound adopt similar conformations and the primary differences are localised to the catalytic pocket (oxyanion hole). Unlike the closed conformation, therefore, which demonstrates a larger inward domain movement, CONFORMER_IDs 1 and 2 are globally similar in structure and could potentially be placed into the same conformation if merited by the use case. |
1 | A0A075Q0W3 | 39 | 678 | 6mkf | A | A | 2 | open_liganded | 1 | 2 | null | The structures between open and beta-lactam-bound adopt similar conformations and the primary differences are localised to the catalytic pocket (oxyanion hole). Unlike the closed conformation, therefore, which demonstrates a larger inward domain movement, CONFORMER_IDs 1 and 2 are globally similar in structure and could potentially be placed into the same conformation if merited by the use case. |
2 | A0A075Q0W3 | 39 | 678 | 6mkg | A | A | 2 | open_liganded | 1 | 2 | null | The structures between open and beta-lactam-bound adopt similar conformations and the primary differences are localised to the catalytic pocket (oxyanion hole). Unlike the closed conformation, therefore, which demonstrates a larger inward domain movement, CONFORMER_IDs 1 and 2 are globally similar in structure and could potentially be placed into the same conformation if merited by the use case. |
3 | A0A075Q0W3 | 39 | 678 | 6mkj | A | A | 3 | closed | 1 | 3 | null | Closed conformation exhibits a relatively large inter-domain movement, bringing the N1 and N2 domains closer together, in contrast to binding of the other beta-lactams in 6mkg and 6mkf |
4 | A0A1J6PWI8 | 20 | 273 | 6jmx | A | A | 1 | open | 1 | 1 | null | null |
5 | A0A1J6PWI8 | 20 | 273 | 6jn8 | A | A | 1 | open | 1 | 1 | null | null |
6 | A0A1J6PWI8 | 20 | 273 | 6jmy | A | A | 2 | closed | 1 | 2 | null | null |
7 | A0A1J6PWI8 | 20 | 273 | 6jn7 | A | A | 2 | closed | 1 | 2 | null | null |
8 | A0A1J6PWI8 | 20 | 273 | 6jn7 | B | B | 2 | closed | 1 | 2 | null | null |
9 | A0A1J6PWI8 | 20 | 273 | 6jn7 | C | C | 2 | closed | 1 | 2 | null | null |
10 | A0A1J6PWI8 | 20 | 273 | 6kv1 | A | A | 2 | closed | 1 | 2 | null | null |
11 | A0QTT2 | 1 | 439 | 7cy2 | A | A | 1 | open | 1 | 1 | null | null |
12 | A0QTT2 | 1 | 439 | 7cyr | A | A | 2 | closed | 1 | 2 | null | null |
13 | A0R629 | 13 | 412 | 5eqd | B | B | 1 | open | 0 | 1 | null | Pairwise RMSD comparison between chains in 5eqd and 5er9 show the two conformations in the asymmetric unit are different but identification of the closed and open structures is not possible alone. The open conformation is also nearly identical to the mixed conformation, with an RMSD of 0.000012 A over392 residues. |
14 | A0R629 | 13 | 412 | 5eqd | A | A | 2 | closed | 0 | 2 | null | Pairwise RMSD comparison between chains in 5eqd and 5er9 show the two conformations in the asymmetric unit are different but identification of the closed and open structures is not possible alone. The open conformation is also nearly identical to the mixed conformation, with an RMSD of 0.000012 A over392 residues. |
15 | A0R629 | 13 | 412 | 5er9 | A | A | 2 | closed | 0 | 2 | null | Pairwise RMSD comparison between chains in 5eqd and 5er9 show the two conformations in the asymmetric unit are different but identification of the closed and open structures is not possible alone. The open conformation is also nearly identical to the mixed conformation, with an RMSD of 0.000012 A over392 residues. |
16 | A0R629 | 13 | 412 | 5er9 | B | B | 3 | mixed | 0 | 1 | null | Almost identical in structure to open conformation (CONFORMER_ID=2) |
17 | A2RJ53 | 24 | 600 | 3fto | A | A | 1 | open | 1 | null | null | null |
18 | A2RJ53 | 24 | 600 | 3drf | A | A | 2 | closed | 1 | null | null | Substrate = octapeptide |
19 | A2RJ53 | 24 | 600 | 3drg | A | A | 2 | closed | 1 | null | null | Substrate = nonapeptide |
20 | A6UVT1 | 1 | 342 | 6hac | A | A | 1 | open | 1 | null | null | null |
21 | A6UVT1 | 1 | 342 | 6hae | A | A | 2 | closed | 1 | null | null | null |
22 | A6UVT1 | 1 | 342 | 6hae | K | B | 2 | closed | 1 | null | null | null |
23 | A6UVT1 | 1 | 342 | 6hav | A | A | 2 | closed | 1 | null | null | null |
24 | B3EYN2 | 1 | 848 | 5ho2 | A | A | 1 | open | 0 | null | null | null |
25 | B3EYN2 | 1 | 848 | 5ho0 | A | A | 2 | closed | 0 | null | null | null |
26 | B7IE18 | 1 | 475 | 6nc7 | A | A | 1 | open_inward | 1 | null | null | null |
27 | B7IE18 | 1 | 475 | 6nc7 | B | B | 1 | open_inward | 1 | null | null | null |
28 | B7IE18 | 1 | 475 | 6nc8 | A | A | 2 | occluded_inward | 1 | null | null | null |
29 | B7IE18 | 1 | 475 | 6nc9 | A | A | 3 | occluded_outward | 1 | null | null | null |
30 | B7IE18 | 1 | 475 | 6nc6 | A | A | 4 | closed_outward | 1 | null | null | null |
31 | B7IE18 | 1 | 475 | 6nc6 | B | B | 4 | closed_outward | 1 | null | null | null |
32 | C7C425 | 1 | 418 | 6xcs | A | A | 1 | open | 1 | null | null | null |
33 | C7C425 | 1 | 418 | 6xcs | B | B | 1 | open | 1 | null | null | null |
34 | C7C425 | 1 | 418 | 6xcq | A | A | 2 | closed | 1 | null | null | null |
35 | G0S4S9 | 1 | 2,925 | 6sl1 | A | A | 1 | open | 1 | null | null | null |
36 | G0S4S9 | 1 | 2,925 | 6skz | A | A | 2 | closed | 1 | null | null | null |
37 | G0SB58 | 24 | 1,505 | 5mzo | A | A | 1 | open | 1 | null | null | null |
38 | G0SB58 | 24 | 1,505 | 5mu1 | A | A | 2 | intermediate | 1 | null | null | null |
39 | G0SB58 | 24 | 1,505 | 5n2j | A | A | 3 | closed | 1 | null | null | null |
40 | G0SB58 | 24 | 1,505 | 5n2j | B | B | 3 | closed | 1 | null | null | null |
41 | G0SB58 | 24 | 1,505 | 5nv4 | A | A | 3 | closed | 1 | null | null | Double Cys mutant to stabilise protein in the closed conformation |
42 | J9UN47 | 25 | 609 | 4psp | A | A | 1 | open | 1 | null | null | null |
43 | J9UN47 | 25 | 609 | 4psp | B | B | 1 | open | 1 | null | null | null |
44 | J9UN47 | 25 | 609 | 4psr | A | A | 1 | open | 1 | null | null | null |
45 | J9UN47 | 25 | 609 | 4psr | B | B | 1 | open | 1 | null | null | null |
46 | J9UN47 | 25 | 609 | 4ni3 | A | A | 2 | closed | 1 | null | null | null |
47 | J9UN47 | 25 | 609 | 4ni3 | B | B | 2 | closed | 1 | null | null | null |
48 | O34926 | 1 | 405 | 3nc3 | A | A | 1 | open | 1 | null | null | null |
49 | O34926 | 1 | 405 | 3nc5 | A | A | 1 | open | 1 | null | null | null |
50 | O34926 | 1 | 405 | 3nc5 | B | B | 1 | open | 1 | null | null | null |
51 | O34926 | 1 | 405 | 3nc3 | B | B | 2 | closed | 1 | null | null | null |
52 | O34926 | 1 | 405 | 3nc6 | A | A | 2 | closed | 1 | null | null | null |
53 | O34926 | 1 | 405 | 3nc6 | B | B | 2 | closed | 1 | null | null | null |
54 | O34926 | 1 | 405 | 3nc7 | A | A | 2 | closed | 1 | null | null | null |
55 | O34926 | 1 | 405 | 3nc7 | B | B | 2 | closed | 1 | null | null | null |
56 | O76728 | 1 | 715 | 4bp8 | A | A | 1 | open | 1 | null | null | Authors not sure if dimer is crystallisation artefact or biologically important. |
57 | O76728 | 1 | 715 | 4bp8 | B | B | 1 | open | 1 | null | null | Authors not sure if dimer is crystallisation artefact or biologically important. |
58 | O76728 | 1 | 715 | 4bp9 | A | A | 2 | closed | 1 | null | null | Substrate = tetrapeptide. Authors not sure if dimer is crystallisation artefact or biologically important. |
59 | O76728 | 1 | 715 | 4bp9 | B | B | 2 | closed | 1 | null | null | Substrate = tetrapeptide. Authors not sure if dimer is crystallisation artefact or biologically important. |
60 | O76728 | 1 | 715 | 4bp9 | C | C | 2 | closed | 1 | null | null | Substrate = tetrapeptide. Authors not sure if dimer is crystallisation artefact or biologically important. |
61 | O76728 | 1 | 715 | 4bp9 | D | D | 2 | closed | 1 | null | null | Substrate = tetrapeptide. Authors not sure if dimer is crystallisation artefact or biologically important. |
62 | O76728 | 1 | 715 | 4bp9 | E | E | 2 | closed | 1 | null | null | Substrate = tetrapeptide. Authors not sure if dimer is crystallisation artefact or biologically important. |
63 | O76728 | 1 | 715 | 4bp9 | F | F | 2 | closed | 1 | null | null | Substrate = tetrapeptide. Authors not sure if dimer is crystallisation artefact or biologically important. |
64 | P00558 | 1 | 417 | 2xe6 | A | A | 1 | open | 1 | null | null | null |
65 | P00558 | 1 | 417 | 2xe7 | A | A | 1 | open | 1 | null | null | null |
66 | P00558 | 1 | 417 | 2xe8 | A | A | 1 | open | 1 | null | null | null |
67 | P00558 | 1 | 417 | 2wzd | A | A | 2 | closed | 1 | null | null | null |
68 | P00558 | 1 | 417 | 2ybe | A | A | 2 | closed | 1 | null | null | null |
69 | P00558 | 1 | 417 | 4axx | A | A | 2 | closed | 1 | null | null | null |
70 | P00918 | 1 | 260 | 3m1q | A | A | 1 | open | 0 | null | null | null |
71 | P00918 | 1 | 260 | 3m1w | A | A | 2 | closed | 0 | null | null | null |
72 | P0A4G2 | 1 | 309 | 4uto | A | A | 1 | open | 1 | null | null | null |
73 | P0A4G2 | 1 | 309 | 4uto | B | B | 1 | open | 1 | null | null | null |
74 | P0A4G2 | 1 | 309 | 4utp | A | A | 2 | closed | 1 | null | null | null |
75 | P0A4G2 | 1 | 309 | 4utp | B | B | 2 | closed | 1 | null | null | null |
76 | P0CG48 | 609 | 684 | 3ns8 | A | A | 1 | open | 1 | null | null | null |
77 | P0CG48 | 609 | 684 | 3ns8 | B | B | 1 | open | 1 | null | null | null |
78 | P0CG48 | 609 | 684 | 2n2k | A | A | 2 | closed | 1 | null | null | null |
79 | P0CG48 | 609 | 684 | 2n2k | B | B | 2 | closed | 1 | null | null | null |
80 | P14902 | 15 | 403 | 7p0n | A | A | 1 | open | 1 | null | null | null |
81 | P14902 | 15 | 403 | 7p0n | B | B | 1 | open | 1 | null | null | Unclear whether the dashed out cells are true conformations in their defined states. The unformatted cells are definitely in their conformation as stated by the authors. |
82 | P14902 | 15 | 403 | 7p0n | C | C | 1 | open | 1 | null | null | null |
83 | P14902 | 15 | 403 | 7p0n | D | D | 1 | open | 1 | null | null | Unclear whether the dashed out cells are true conformations in their defined states. The unformatted cells are definitely in their conformation as stated by the authors. |
84 | P14902 | 15 | 403 | 7p0r | A | A | 2 | intermediate | 1 | null | null | Unclear whether the dashed out cells are true conformations in their defined states. The unformatted cells are definitely in their conformation as stated by the authors. |
85 | P14902 | 15 | 403 | 7p0r | B | B | 2 | intermediate | 1 | null | null | null |
86 | P14902 | 15 | 403 | 7p0r | C | C | 2 | intermediate | 1 | null | null | null |
87 | P14902 | 15 | 403 | 7p0r | D | D | 2 | intermediate | 1 | null | null | Unclear whether the dashed out cells are true conformations in their defined states. The unformatted cells are definitely in their conformation as stated by the authors. |
88 | P14902 | 15 | 403 | 7nge | A | A | 3 | closed | 1 | null | null | null |
89 | P14902 | 15 | 403 | 7nge | B | B | 3 | closed | 1 | null | null | null |
90 | P14902 | 15 | 403 | 7nge | C | C | 3 | closed | 1 | null | null | Unclear whether the dashed out cells are true conformations in their defined states. The unformatted cells are definitely in their conformation as stated by the authors. |
91 | P14902 | 15 | 403 | 7nge | D | D | 3 | closed | 1 | null | null | Unclear whether the dashed out cells are true conformations in their defined states. The unformatted cells are definitely in their conformation as stated by the authors. |
92 | P15291 | 126 | 398 | 2fy7 | A | A | 1 | open | 1 | null | null | null |
93 | P15291 | 126 | 398 | 2fya | A | A | 1 | open | 1 | null | null | null |
94 | P15291 | 126 | 398 | 2fyb | A | A | 1 | open | 1 | null | null | null |
95 | P15291 | 126 | 398 | 6fwu | A | A | 1 | open | 1 | null | null | Dimer |
96 | P15291 | 126 | 398 | 6fwu | B | B | 1 | open | 1 | null | null | Dimer |
97 | P15291 | 126 | 398 | 2fyc | B | B | 2 | closed | 1 | null | null | Complexed with lactalbumin |
98 | P15291 | 126 | 398 | 2fyc | D | D | 2 | closed | 1 | null | null | Complexed with lactalbumin |
99 | P15291 | 126 | 398 | 2fyd | B | B | 2 | closed | 1 | null | null | Complexed with lactalbumin |