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Receptor
PDB id Resolution Class Description Source Keywords
3CT5 1.37 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL AND CRYOEM STRUCTURAL STUDIES OF A CELL WALL DEGRADI IN THE BACTERIOPHAGE PHI29 TAIL BACTERIOPHAGE PHI-29 CELL WALL PHI29 HYDROLASE INFECTION LATE PROTEIN
Ref.: CRYSTAL AND CRYOEM STRUCTURAL STUDIES OF A CELL WAL DEGRADING ENZYME IN THE BACTERIOPHAGE PHI29 TAIL. PROC.NATL.ACAD.SCI.USA V. 105 9552 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG NAG A:201;
Valid;
none;
submit data
611.598 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CT5 1.37 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL AND CRYOEM STRUCTURAL STUDIES OF A CELL WALL DEGRADI IN THE BACTERIOPHAGE PHI29 TAIL BACTERIOPHAGE PHI-29 CELL WALL PHI29 HYDROLASE INFECTION LATE PROTEIN
Ref.: CRYSTAL AND CRYOEM STRUCTURAL STUDIES OF A CELL WAL DEGRADING ENZYME IN THE BACTERIOPHAGE PHI29 TAIL. PROC.NATL.ACAD.SCI.USA V. 105 9552 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 3CT1 - NAG NAG NAG n/a n/a
2 3CT5 - NAG NAG NAG n/a n/a
3 3CSZ - NAG NAG NAG n/a n/a
4 3CT0 - NAG NAG NAG NAG n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3CT1 - NAG NAG NAG n/a n/a
2 3CT5 - NAG NAG NAG n/a n/a
3 3CSZ - NAG NAG NAG n/a n/a
4 3CT0 - NAG NAG NAG NAG n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3CT1 - NAG NAG NAG n/a n/a
2 3CT5 - NAG NAG NAG n/a n/a
3 3CSZ - NAG NAG NAG n/a n/a
4 3CT0 - NAG NAG NAG NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG NAG NAG; Similar ligands found: 126
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NAG NAG 1 1
2 NAG NAG NAG NAG 1 1
3 NAG NAG 0.890625 0.962264
4 NAG NDG 0.890625 0.962264
5 NAG NAG BMA 0.830986 0.981132
6 NAG NDG BMA 0.830986 0.981132
7 NAG NAG BMA MAN 0.7375 0.981132
8 NAG NAG BMA MAN NAG 0.735632 1
9 NAG NAG BMA BMA 0.730769 0.981481
10 NAG NAG BMA MAN MAN NAG NAG 0.680851 1
11 NAG NAG NAG NDG 0.680556 0.924528
12 NAG NAG NAG NAG NAG 0.680556 0.924528
13 NDG NAG NAG NDG 0.680556 0.924528
14 NAG NAG NDG 0.680556 0.924528
15 NAG NAG NAG NAG NDG 0.680556 0.924528
16 NAG NAG NAG NAG NAG NAG NAG NAG 0.680556 0.924528
17 NAG NAG NDG NAG 0.680556 0.924528
18 CTO 0.680556 0.924528
19 NAG NAG NAG NAG NAG NAG 0.680556 0.924528
20 NDG NAG NAG NAG 0.680556 0.924528
21 NDG NAG NAG 0.680556 0.924528
22 NAG BMA 0.647887 0.90566
23 NOJ NAG NAG 0.62963 0.894737
24 NOJ NAG NAG NAG 0.62963 0.912281
25 Z4S NAG NAG 0.62963 0.859649
26 NDG NAG 0.625 0.90566
27 CBS CBS 0.625 0.90566
28 CBS 0.625 0.90566
29 NAG GDL 0.625 0.90566
30 NAG NAG BMA MAN MAN MAN MAN 0.584158 0.981132
31 A2G MBG 0.573333 0.851852
32 MBG A2G 0.573333 0.851852
33 NGA GAL 0.565789 0.867925
34 GAL NAG GAL 0.554217 0.886792
35 NAG NAG NGT 0.551724 0.777778
36 GAL NAG GAL BGC 0.551724 0.886792
37 NGA GAL BGC 0.55 0.849057
38 GAL NAG 0.546667 0.849057
39 NAG GAL 0.546667 0.849057
40 DLD 0.541176 0.790323
41 NAG AMU NAG AMV 0.533333 0.890909
42 3QL 0.530864 0.842105
43 GAL NAG MAN 0.52439 0.849057
44 NAG GAL NAG 0.52381 0.90566
45 MAN MAN NAG 0.52381 0.886792
46 NAG A2G 0.519481 0.90566
47 NAG NGA 0.519481 0.90566
48 TCG 0.517647 0.790323
49 6Y2 0.516854 0.720588
50 AO3 0.516129 0.710145
51 NAA NAA AMI 0.516129 0.710145
52 NAG MAN BMA 0.506024 0.849057
53 NAG GAL GAL NAG GAL 0.505747 0.90566
54 NAG MBG 0.5 0.851852
55 GAL NGA A2G 0.5 0.90566
56 NAG NAG FUL BMA MAN MAN NAG GAL 0.495495 1
57 UMG 0.494845 0.816667
58 NAG MAN BMA MAN NAG GAL 0.49 0.90566
59 NAG GAL GAL NAG 0.488636 0.90566
60 GAL NAG GAL NAG GAL NAG 0.488636 0.924528
61 NAG GAL BGC 0.488372 0.849057
62 NAG MAN 0.4875 0.886792
63 GLC GAL NAG GAL 0.483146 0.849057
64 LAT NAG GAL 0.483146 0.849057
65 NGT NAG 0.482759 0.761905
66 NAG BMA NAG MAN MAN NAG NAG 0.480392 0.924528
67 NGA GLA GAL BGC 0.477778 0.849057
68 AH0 NAG 0.477273 0.844828
69 SN5 SN5 0.475 0.754386
70 GUM 0.474227 0.816667
71 NAG MAN MAN 0.465909 0.849057
72 NAG MAN MMA 0.465116 0.851852
73 2F8 0.464789 0.796296
74 MAG 0.464789 0.796296
75 NAG MAN MAN MAN NAG 0.462366 0.90566
76 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.461538 0.924528
77 NAG MUB 0.460674 0.907407
78 NAG AMU 0.460674 0.907407
79 FUC GAL A2G 0.45977 0.867925
80 A2G GLA FUC 0.45977 0.867925
81 A2G GAL FUC 0.45977 0.867925
82 FUC GLA A2G 0.45977 0.867925
83 NGA GAL FUC 0.45977 0.867925
84 NG1 0.459459 0.709677
85 GN1 0.459459 0.709677
86 A2G GAL NAG FUC 0.458333 0.924528
87 FUC GAL NAG A2G 0.458333 0.924528
88 NAG NAG BMA MAN MAN NAG GAL NAG 0.457944 0.924528
89 NAG NM9 0.454545 0.890909
90 FHY 0.452632 0.859649
91 NAG AH0 0.451613 0.844828
92 NA1 NAA AMI 0.45098 0.7
93 NAG MAN BMA NDG MAN NAG GAL 0.448598 0.924528
94 JXD 0.447619 0.728571
95 GAL NDG 0.443038 0.849057
96 NDG GAL 0.443038 0.849057
97 NLC 0.443038 0.849057
98 5AX 0.442857 0.830189
99 NAG NAG BMA MAN MAN 0.44 0.90566
100 FUC BGC GAL NAG GAL 0.44 0.867925
101 NDG BDP BDP NPO NDG 0.439252 0.720588
102 MMA MAN NAG MAN NAG NAG 0.4375 0.907407
103 FUC BGC GAL NAG 0.4375 0.867925
104 BMA Z4Y NAG 0.43617 0.833333
105 BGC FUC GAL FUC A2G 0.43299 0.886792
106 GLC FUC GAL FUC A2G 0.43299 0.886792
107 GYU 0.432099 0.813559
108 A2G GAL BGC FUC 0.428571 0.867925
109 FUC NAG GAL 0.426966 0.943396
110 SIA GAL NAG 0.425926 0.963636
111 FUC C4W NAG BMA 0.425743 0.875
112 8VZ 0.425 0.888889
113 FUC C4W NAG BMA MAN NAG 0.424779 0.875
114 SN5 SN5 NGT 0.421053 0.6875
115 3YW 0.4125 0.811321
116 FUC NAG 0.411765 0.924528
117 ASN NAG NAG BMA MAN MAN NAG NAG 0.40678 0.894737
118 LEC NGA 0.40625 0.720588
119 NAG GAL FUC FUC A2G 0.405941 0.924528
120 FUC GAL NAG A2G FUC 0.405941 0.924528
121 NAG BDP NAG BDP NAG BDP NAG 0.40404 0.907407
122 NAG MAN MAN MAN NAG GAL NAG GAL 0.401869 0.924528
123 MAN BMA NAG NAG MAN NAG GAL GAL 0.401869 0.924528
124 MA8 0.4 0.821429
125 ALA NAG AH0 DAL 0.4 0.830508
126 FUC C4W NAG BMA MAN MAN NAG NAG 0.4 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CT5; Ligand: NAG NAG NAG; Similar sites found with APoc: 52
This union binding pocket(no: 1) in the query (biounit: 3ct5.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5YGE ACO None
2 1AMU AMP 2.51572
3 2B8W ALF 5GP 2.51572
4 1PG4 COA 3.14465
5 1PG4 PRX 3.14465
6 4PZ6 GMP 3.14465
7 4DYG MES 3.77358
8 3W6C NAG NAG 3.77358
9 6CFC BLG 3.77358
10 4CJX 9L9 3.77358
11 4LHD GLY 3.77358
12 4G31 0WH 3.77358
13 5X8G S0N 4.40252
14 3CW9 AMP 4.40252
15 1I1D 16G 4.40252
16 1WG8 SAM 4.40252
17 1RSD PSB 4.95868
18 1RY2 AMP 5.03145
19 5L53 NAP 5.03145
20 4USI ATP 5.19481
21 5N9X ATP 5.66038
22 1RZM E4P 5.66038
23 5XNC MTA 6.28931
24 4JDR FAD 6.91824
25 1QZR ANP 6.91824
26 4EPM AMP 6.91824
27 1BB6 UMG 6.97674
28 4FUT ATP 7.54717
29 4GID 0GH 7.54717
30 4GXQ ATP 7.54717
31 3WH1 NAG NAG NAG NAG 8.1761
32 5Z5I XYP 8.1761
33 4OXI GAP 8.80503
34 154L NAG NAG NAG 9.43396
35 1D0L BLG 10.0629
36 2GU8 796 10.0629
37 2QCS ANP 10.0629
38 5MSD BEZ 10.6918
39 5MSD AMP 10.6918
40 4RLQ 3SK 11.3208
41 4WB6 ATP 11.3208
42 5MST FUM 11.9497
43 5MST AMP 11.9497
44 4HJY NAG NAG NAG 12.5786
45 1LSZ NDG NAG NAG NAG 12.9252
46 1LZR NAG NAG NAG NAG 13.0769
47 4CFP NAG AMU NAG AMV 14.4654
48 3CQL NAG 14.4654
49 3BP1 GUN 14.4654
50 4HDQ GNP 16.3522
51 1YID ATP 22.6415
52 4D57 ARG AMP 23.2704
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