Receptor
PDB id Resolution Class Description Source Keywords
5C2N 1.65 Å NON-ENZYME: OTHER THE DE NOVO EVOLUTIONARY EMERGENCE OF A SYMMETRICAL PROTEIN BY FOLDING CONSTRAINTS ENTEROBACTERIA PHAGE L1 BLADED BETA PROPELLER UNKNOWN FUNCTION
Ref.: DE NOVO EVOLUTIONARY EMERGENCE OF A SYMMETRICAL PRO SHAPED BY FOLDING CONSTRAINTS. CELL V. 164 476 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG L:102;
C:101;
O:101;
B:101;
D:101;
E:102;
M:101;
L:101;
E:101;
J:101;
M:102;
F:101;
A:101;
I:101;
F:102;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5C2N 1.65 Å NON-ENZYME: OTHER THE DE NOVO EVOLUTIONARY EMERGENCE OF A SYMMETRICAL PROTEIN BY FOLDING CONSTRAINTS ENTEROBACTERIA PHAGE L1 BLADED BETA PROPELLER UNKNOWN FUNCTION
Ref.: DE NOVO EVOLUTIONARY EMERGENCE OF A SYMMETRICAL PRO SHAPED BY FOLDING CONSTRAINTS. CELL V. 164 476 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5C2N - NAG C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5C2N - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5C2N - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG; Similar ligands found: 109
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG 1 1
2 HSQ 1 1
3 NGA 1 1
4 A2G 1 1
5 NDG 1 1
6 BM3 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 GAL NGA A2G 0.614035 0.816327
11 STZ 0.612245 0.65
12 16G 0.591837 0.735849
13 BMX 0.591837 0.735849
14 4QY 0.591837 0.735849
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NAG GDL 0.54386 0.833333
18 CBS 0.54386 0.833333
19 CBS CBS 0.54386 0.833333
20 NAG NDG 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 2F8 0.530612 0.909091
24 MAG 0.530612 0.909091
25 NLC 0.517857 0.888889
26 GAL NDG 0.517857 0.888889
27 NDG GAL 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 MAN NAG 0.508772 0.888889
32 4UZ 0.508475 0.808511
33 NDG NAG NAG 0.508197 0.816327
34 CTO 0.508197 0.816327
35 NAG NAG NDG 0.508197 0.816327
36 NAG NAG NAG NDG 0.508197 0.816327
37 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
38 NDG NAG NAG NDG 0.508197 0.816327
39 NAG NAG NAG NAG 0.508197 0.816327
40 NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NDG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 NDG NAG NAG NDG NAG 0.508197 0.816327
44 NDG NAG NAG NAG 0.508197 0.816327
45 NAG NAG NAG NAG NDG 0.508197 0.816327
46 NAG NAG NAG NAG NAG 0.508197 0.816327
47 NBG 0.5 0.951219
48 MQG 0.5 0.698113
49 A2G GAL 0.491228 0.888889
50 GAL A2G 0.491228 0.888889
51 GAL NGA 0.491228 0.888889
52 AMU 0.490909 0.930233
53 GN1 0.490566 0.754717
54 NG1 0.490566 0.754717
55 NDG NAG 0.47541 0.816327
56 NAG GAL 0.474576 0.888889
57 NGA GAL 0.474576 0.888889
58 NAG FUC 0.474576 0.866667
59 GAL NAG 0.474576 0.888889
60 NAG GAL NAG 0.455882 0.833333
61 FUC NAG 0.45 0.888889
62 3YW 0.448276 0.930233
63 GLA GAL NAG 0.446154 0.888889
64 MAN BMA NAG 0.446154 0.888889
65 NAG GAL GAL 0.446154 0.888889
66 FUL GAL NAG 0.426471 0.869565
67 G6S NAG 0.426471 0.677966
68 DR2 0.426471 0.869565
69 FUC GAL NDG 0.426471 0.869565
70 FUC GAL NAG 0.426471 0.869565
71 NDG GAL FUC 0.426471 0.869565
72 GYU 0.42623 0.740741
73 TNR 0.42623 0.833333
74 NAG BDP 0.421875 0.851064
75 NAG MBG 0.419355 0.851064
76 NGA GAL BGC 0.41791 0.888889
77 NAG NAG 0.415385 0.784314
78 AZC 0.415094 0.795918
79 SN5 SN5 0.412698 0.705882
80 MBG A2G 0.412698 0.851064
81 A2G MBG 0.412698 0.851064
82 HS2 0.411765 0.8125
83 5AX 0.411765 0.866667
84 6ZC 0.409091 0.655738
85 LEC 0.409091 0.655738
86 GAL BGC NAG GAL 0.408451 0.888889
87 TCG 0.408451 0.689655
88 CTO TMX 0.408451 0.689655
89 NAG NAG NAG NAG NAG NAG NAG 0.407895 0.740741
90 BMA 0.404762 0.7
91 WOO 0.404762 0.7
92 ALL 0.404762 0.7
93 GLA 0.404762 0.7
94 MAN 0.404762 0.7
95 GAL 0.404762 0.7
96 GLC 0.404762 0.7
97 GXL 0.404762 0.7
98 GIV 0.404762 0.7
99 BGC 0.404762 0.7
100 NAG AMU 0.402778 0.8
101 NAG MUB 0.402778 0.8
102 A2G GAL FUC 0.4 0.869565
103 DR3 0.4 0.869565
104 NAG GAL FUC 0.4 0.869565
105 FUC GL0 A2G 0.4 0.869565
106 A2G GLA FUC 0.4 0.869565
107 FUC GAL A2G 0.4 0.869565
108 NGA GAL FUC 0.4 0.869565
109 FUC GLA A2G 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: 106
This union binding pocket(no: 1) in the query (biounit: 5c2n.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WGT FAD 0.01223 0.45071 None
2 3WGT QSC 0.01263 0.45071 None
3 3G5S FAD 0.009025 0.44893 None
4 1U7Z PMT 0.009671 0.44384 None
5 1TLG GAL 0.004157 0.44194 None
6 4RVU NDP 0.01974 0.42745 None
7 3TG5 SAH 0.01056 0.41775 None
8 2XTZ GSP 0.0214 0.4141 None
9 4RQU NAD 0.02727 0.41397 None
10 1P1C SAH 0.02055 0.41326 None
11 4L3L 5FI 0.0268 0.41257 None
12 5KJK SAM 0.04688 0.41214 None
13 5KJK 6T1 0.04688 0.41214 None
14 1T9D P22 0.00511 0.41028 None
15 4C2X NHW 0.04841 0.40939 None
16 3VPH OXM 0.03999 0.40861 None
17 3M6P BB2 0.01689 0.40841 None
18 2VBU CDP 0.03852 0.40818 None
19 1TUF AZ1 0.02759 0.40739 None
20 2FK8 SAM 0.02324 0.40675 None
21 1IZE IVA VAL VAL STA ALA STA 0.02881 0.40631 None
22 5JGL SAM 0.02459 0.40401 None
23 3VC3 C6P 0.0341 0.40332 None
24 1WG8 SAM 0.03349 0.40256 None
25 5LJW ANP 0.01982 0.40218 None
26 3QF7 ANP 0.04932 0.4017 None
27 1E6E FAD 0.03705 0.41247 4.16667
28 4PW9 MSS 0.02342 0.40629 4.16667
29 3LCV SAM 0.02993 0.40296 4.16667
30 5JCA NDP 0.03195 0.43347 6.25
31 1LLU NAD 0.03042 0.41628 6.25
32 2AJ4 ANP 0.01955 0.40953 6.25
33 5HQ8 SAH 0.01637 0.40313 6.25
34 3KEE 30B 0.02834 0.40199 6.25
35 1X87 NAD 0.01125 0.42655 8.33333
36 4MO2 FAD 0.02646 0.42379 8.33333
37 3JVH HHV 0.02113 0.42231 8.33333
38 4YRY FAD 0.03293 0.42131 8.33333
39 4MO2 FDA 0.03041 0.4194 8.33333
40 4NST ADP 0.01487 0.41267 8.33333
41 4QGE 35O 0.0168 0.40848 8.33333
42 5EFQ ADP 0.01918 0.40701 8.33333
43 2AMT 1AA 0.02967 0.43616 10.4167
44 2CUL FAD 0.03117 0.41601 10.4167
45 2YY7 NAD 0.03987 0.40535 10.4167
46 1C1X HFA 0.0159 0.40416 10.4167
47 4E5N NAD 0.04835 0.40331 10.4167
48 4IV9 FAD 0.0221 0.42953 12.5
49 1YQS BSA 0.01947 0.42637 12.5
50 4N49 SAM 0.0117 0.42419 12.5
51 4JNE ATP 0.01382 0.42327 12.5
52 2RGO FAD 0.03669 0.41361 12.5
53 2CDU ADP 0.01824 0.40765 12.5
54 3MN9 ATP 0.0214 0.40642 12.5
55 3QWI NAP 0.04442 0.40435 12.5
56 1M2O GNP 0.03154 0.40364 12.5
57 2QTV GNP 0.03398 0.40187 12.5
58 1COY FAD 0.002722 0.48108 14.5833
59 4GUT FAD 0.008016 0.45966 14.5833
60 4HSU FAD 0.008047 0.45768 14.5833
61 3ZNN 4WL 0.03251 0.43221 14.5833
62 3ZNN FAD 0.03251 0.43221 14.5833
63 1IYK MYA 0.02535 0.41689 14.5833
64 3ITJ FAD 0.04995 0.41633 14.5833
65 2A9D MTE 0.01674 0.41308 14.5833
66 1UKG MMA 0.008403 0.41279 14.5833
67 3LDQ 3P1 0.02102 0.4073 14.5833
68 1Q8S MAN MMA 0.01151 0.40441 14.5833
69 1Q8Q MAN MMA 0.01292 0.40178 14.5833
70 2R4J 13P 0.01497 0.44936 16.6667
71 2R4J FAD 0.01497 0.44936 16.6667
72 1IV2 CDP 0.01788 0.40397 16.6667
73 3U4L ATP 0.02632 0.4032 16.6667
74 3IP5 ALA 0.01108 0.40297 16.6667
75 1ZC3 GNP 0.03319 0.40265 16.6667
76 4IP7 FBP 0.02174 0.4014 16.6667
77 3QXY SAM 0.001706 0.45632 18.75
78 2V51 ATP 0.01102 0.42483 18.75
79 4USR FAD 0.02183 0.42282 18.75
80 2Q97 ATP 0.039 0.42176 18.75
81 2PBD ATP 0.01122 0.42161 18.75
82 2A42 ATP 0.01189 0.42038 18.75
83 3CTY FAD 0.03966 0.41862 18.75
84 4J56 FAD 0.04018 0.41717 18.75
85 4PKI ATP 0.0135 0.41687 18.75
86 1T44 ATP 0.01386 0.41664 18.75
87 2A40 ATP 0.01436 0.41584 18.75
88 2D1K ATP 0.0173 0.41149 18.75
89 2V52 ATP 0.01841 0.41145 18.75
90 3MN5 ATP 0.02003 0.40937 18.75
91 4D9C PMP 0.0287 0.40798 18.75
92 2A3Z ATP 0.02043 0.40753 18.75
93 4Z94 ATP 0.01889 0.40703 18.75
94 4B1W ATP 0.02481 0.4064 18.75
95 4B1Y ATP 0.02744 0.40404 18.75
96 5XVK SAH 0.0298 0.4033 18.75
97 3ICS COA 0.04972 0.40061 18.75
98 1I8T FAD 0.02327 0.42656 20.8333
99 4NAE 1GP 0.002913 0.42054 20.8333
100 3CX8 GSP 0.03727 0.40487 20.8333
101 2A14 SAH 0.02942 0.4042 20.8333
102 2E5V FAD 0.01637 0.44018 22.9167
103 1O94 ADP 0.03312 0.40468 25
104 1AE1 NAP 0.04881 0.40264 31.25
105 3QFA FAD 0.03259 0.42169 37.5
106 1QO8 FAD 0.02887 0.42395 39.5833
Pocket No.: 2; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5c2n.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5c2n.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5c2n.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5c2n.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: 48
This union binding pocket(no: 6) in the query (biounit: 5c2n.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3O26 NDP 0.01761 0.42606 None
2 4BNU 9KQ 0.01127 0.42594 None
3 3WQT ANP 0.01293 0.41928 None
4 1V8B NAD 0.0306 0.41865 None
5 4J4H 1J1 0.04704 0.41672 None
6 4J4H NAI 0.04704 0.41672 None
7 4J7U NAP 0.04587 0.41504 None
8 4J7U YTZ 0.04587 0.41504 None
9 5TUZ 7L6 0.04997 0.40546 None
10 5TUZ SAM 0.04997 0.40546 None
11 5XDT MB3 0.04627 0.40354 None
12 1N07 ADP 0.02458 0.40347 None
13 1ZMD NAI 0.03277 0.40337 None
14 1VBJ NAP 0.04109 0.40219 None
15 1ZGD NAP 0.04338 0.40175 None
16 4FN4 NAD 0.03401 0.40866 4.16667
17 5JCA FAD 0.01945 0.43394 6.25
18 2C6Q IMP 0.01252 0.42562 6.25
19 4UP4 GAL NAG 0.004895 0.41871 6.25
20 1P9P SAH 0.01374 0.41812 6.25
21 3P8N L4T 0.03252 0.40329 6.25
22 3E3U NVC 0.0206 0.40031 6.25
23 4J5R A1R 0.02543 0.40812 8.33333
24 2WTX UDP 0.04418 0.40715 8.33333
25 2WTX VDO 0.04595 0.40715 8.33333
26 1YY5 FAD 0.04823 0.41356 10.4167
27 5EOW FAD 0.03943 0.40982 10.4167
28 1YRB GDP 0.01869 0.40615 10.4167
29 1BW9 PPY 0.01908 0.40202 10.4167
30 5HTX ADP 0.004257 0.40117 10.4167
31 1YAG ATP 0.01094 0.42756 12.5
32 4EFH ADP 0.01306 0.41429 12.5
33 2Z3Y F2N 0.04666 0.41154 12.5
34 1FK8 NAD 0.0354 0.40249 12.5
35 1KGZ PRP 0.01862 0.40182 12.5
36 5G3U FDA 0.01409 0.43845 14.5833
37 5FPE 3TR 0.006185 0.42987 14.5833
38 3DDC GNP 0.02672 0.41063 14.5833
39 3KUD GDP 0.02309 0.4068 14.5833
40 3AD8 NAD 0.04893 0.40447 14.5833
41 5AR0 GB8 0.02777 0.40327 14.5833
42 1HXD BTN 0.02833 0.40061 14.5833
43 4YSX FAD 0.02412 0.42828 16.6667
44 3AB1 FAD 0.03236 0.41923 18.75
45 2PAV ATP 0.02446 0.41685 18.75
46 3SJH LAR 0.0237 0.41557 18.75
47 3SJH ATP 0.01606 0.41476 18.75
48 4Y2H SAH 0.03944 0.41391 29.1667
Pocket No.: 7; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5c2n.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5c2n.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 5c2n.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 5c2n.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: 23
This union binding pocket(no: 11) in the query (biounit: 5c2n.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2F5Z FAD 0.03265 0.42119 None
2 1VG8 GNP 0.03433 0.40348 None
3 3MJY FMN 0.004555 0.45848 4.16667
4 3MJY IJZ 0.004555 0.45848 4.16667
5 5M58 SAH 0.02806 0.40073 4.16667
6 4DV8 0LX 0.02444 0.42062 6.25
7 1UWK NAD 0.02973 0.42585 8.33333
8 1UWK URO 0.02973 0.42585 8.33333
9 2PHN GDP 0.03445 0.40133 10.4167
10 2YVJ NAI 0.0242 0.40084 12.5
11 2QWO ADP 0.01799 0.41582 14.5833
12 3FV3 IVA VAL VAL STA ALA STA 0.0258 0.41288 14.5833
13 2FFQ GSP 0.03906 0.401 14.5833
14 3AYI FAD 0.02825 0.43136 16.6667
15 3AYI HCI 0.02904 0.43136 16.6667
16 1YXM ADE 0.002713 0.42383 16.6667
17 3NTD COA 0.04194 0.40692 18.75
18 1Z3C SA8 0.04086 0.40531 18.75
19 4N9I PCG 0.03947 0.41724 22.9167
20 4HA6 FAD 0.04345 0.41538 22.9167
21 3LXK MI1 0.01468 0.42478 25
22 1EM6 NBG 0.04763 0.41246 25
23 3SSO SAH 0.04662 0.4104 29.1667
Pocket No.: 12; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 5c2n.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 5c2n.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 5c2n.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 5C2N; Ligand: NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 5c2n.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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