Receptor
PDB id Resolution Class Description Source Keywords
1PNF 2 Å EC: 3.5.1.52 PNGASE F COMPLEX WITH DI-N-ACETYLCHITOBIOSE ELIZABETHKINGIA MENINGOSEPTICA HYDROLASE
Ref.: ACTIVE SITE AND OLIGOSACCHARIDE RECOGNITION RESIDUE PEPTIDE-N4-(N-ACETYL-BETA-D-GLUCOSAMINYL)ASPARAGINE F. J.BIOL.CHEM. V. 270 29493 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDG NAG A:431;
Valid;
none;
submit data
422.387 n/a O=C(N...
SO4 A:500;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PNF 2 Å EC: 3.5.1.52 PNGASE F COMPLEX WITH DI-N-ACETYLCHITOBIOSE ELIZABETHKINGIA MENINGOSEPTICA HYDROLASE
Ref.: ACTIVE SITE AND OLIGOSACCHARIDE RECOGNITION RESIDUE PEPTIDE-N4-(N-ACETYL-BETA-D-GLUCOSAMINYL)ASPARAGINE F. J.BIOL.CHEM. V. 270 29493 1995
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1PNF - NDG NAG n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1PNF - NDG NAG n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1PNF - NDG NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDG NAG; Similar ligands found: 135
No: Ligand ECFP6 Tc MDL keys Tc
1 NDG NAG 1 1
2 CBS 0.6875 0.979592
3 NAG GDL 0.6875 0.979592
4 CBS CBS 0.6875 0.979592
5 NAG NDG 0.6875 0.979592
6 NAG NAG NAG NAG 0.647059 1
7 NAG NAG NAG NAG NAG 0.647059 1
8 NDG NAG NAG NDG NAG 0.647059 1
9 NAG NAG NAG 0.647059 1
10 NAG NAG NDG 0.647059 1
11 NAG NAG NAG NAG NAG NAG NAG NAG 0.647059 1
12 NAG NAG NAG NAG NDG NAG 0.647059 1
13 NAG NAG NAG NAG NAG NAG 0.647059 1
14 NAG NAG NAG NDG 0.647059 1
15 NDG NAG NAG NAG 0.647059 1
16 NDG NAG NAG NDG 0.647059 1
17 NDG NAG NAG 0.647059 1
18 CTO 0.647059 1
19 NAG NAG NAG NAG NDG 0.647059 1
20 NAG A2G 0.61194 0.979592
21 NAG NGA 0.61194 0.979592
22 MAN NAG 0.606061 0.918367
23 NAG GAL 0.597015 0.918367
24 NGA GAL 0.597015 0.918367
25 GAL NAG 0.597015 0.918367
26 NAG GAL NAG 0.586667 0.979592
27 NAG MBG 0.565217 0.92
28 A2G MBG 0.557143 0.92
29 MBG A2G 0.557143 0.92
30 MAN MAN NAG 0.545455 0.882353
31 NAG MAN MMA 0.539474 0.92
32 NAG NAG 0.534247 0.886792
33 NGA GAL BGC 0.533333 0.918367
34 3QL 0.533333 0.90566
35 A2G GLA FUC 0.532468 0.938776
36 FUC GAL A2G 0.532468 0.938776
37 FUC GL0 A2G 0.532468 0.938776
38 A2G GAL FUC 0.532468 0.938776
39 FUC GLA A2G 0.532468 0.938776
40 NGA GAL FUC 0.532468 0.938776
41 2F8 0.532258 0.86
42 MAG 0.532258 0.86
43 NAG NAG NAG NAG NAG NAG NAG 0.53012 0.907407
44 NAG MAN BMA 0.518987 0.918367
45 NAG MAN MAN 0.518987 0.918367
46 NAG AMU 0.5125 0.98
47 NAG MUB 0.5125 0.98
48 3YW 0.507246 0.84
49 NAG NGO 0.506494 0.87037
50 NAG GAL BGC 0.506329 0.918367
51 A2G GAL NAG FUC 0.505747 1
52 GAL NDG 0.5 0.918367
53 NDG GAL 0.5 0.918367
54 NLC 0.5 0.918367
55 NG1 0.5 0.758621
56 GN1 0.5 0.758621
57 NAG MAN MAN MAN NAG 0.494118 0.979592
58 AH0 NAG 0.493827 0.907407
59 SN5 SN5 0.493151 0.811321
60 DLD 0.487805 0.813559
61 NAG NM9 0.4875 0.960784
62 TNR 0.486111 0.865385
63 NOJ NAG NAG NAG 0.481928 0.890909
64 NOJ NAG NAG 0.481928 0.872727
65 CTO TMX 0.481481 0.844828
66 NGT NAG 0.481481 0.813559
67 TCG 0.481481 0.844828
68 NGA GLA GAL BGC 0.47619 0.918367
69 BM3 0.47541 0.816327
70 NAG 0.47541 0.816327
71 HSQ 0.47541 0.816327
72 NDG 0.47541 0.816327
73 A2G 0.47541 0.816327
74 NGA 0.47541 0.816327
75 NAG GAL GAL NAG 0.46988 0.979592
76 GAL NAG GAL NAG GAL NAG 0.46988 1
77 MMA MAN NAG MAN NAG NAG 0.465909 0.98
78 6Y2 0.465116 0.765625
79 NAG NAG NGT 0.465116 0.830508
80 NAG BMA NAG MAN MAN NAG NAG 0.463918 1
81 NAG BDP NAG BDP NAG BDP NAG 0.460674 0.98
82 NAG GCU NAG GCU NAG GCU 5AX 0.460674 0.98
83 GAL NGA A2G 0.454545 0.96
84 GAL NAG MAN 0.45 0.918367
85 MAN NAG GAL 0.45 0.918367
86 NAG AMU NAG AMV 0.449438 0.960784
87 FUC BGC GAL NAG 0.449438 0.938776
88 LEC NGA 0.448276 0.765625
89 NAG AH0 0.448276 0.907407
90 MA8 0.447368 0.814815
91 GYU 0.445946 0.807018
92 NAG GAL FUC FUC A2G 0.445652 1
93 FUC GAL NAG A2G FUC 0.445652 1
94 NAG MAN BMA NDG MAN NAG GAL 0.445545 1
95 3PV 0.444444 0.867925
96 GLC FUC GAL FUC A2G 0.444444 0.959184
97 BGC FUC GAL FUC A2G 0.444444 0.959184
98 NAG GAL GAL 0.443038 0.918367
99 GLA GAL NAG 0.443038 0.918367
100 MAN BMA NAG 0.443038 0.918367
101 M5G 0.441176 0.979592
102 WZ5 0.44086 0.92
103 A2G GAL BGC FUC 0.43956 0.938776
104 GAL A2G 0.438356 0.918367
105 GAL NGA 0.438356 0.918367
106 A2G GAL 0.438356 0.918367
107 AO3 0.434783 0.753846
108 NDG GAL FUC 0.426829 0.938776
109 FUC GAL NDG 0.426829 0.938776
110 FUL GAL NAG 0.426829 0.938776
111 FUC GAL NAG 0.426829 0.938776
112 DR2 0.426829 0.938776
113 NAG FUC 0.426667 0.897959
114 GUM 0.425532 0.875
115 NAA NAA AMI 0.421053 0.720588
116 BGA 0.419355 0.824561
117 8VZ 0.418919 0.96
118 NAG GAL GAL NAG GAL 0.418605 0.979592
119 SNG 0.41791 0.788462
120 UMG 0.416667 0.875
121 GLC GAL NAG GAL 0.413793 0.918367
122 LEC 0.4125 0.71875
123 6ZC 0.4125 0.71875
124 GAL NAG GAL 0.411765 0.882353
125 GAL BGC NAG GAL 0.411765 0.918367
126 G6S NAG 0.409639 0.714286
127 57S 0.409639 0.75
128 ASG 0.408451 0.646154
129 NAG NAG BMA 0.406977 0.90566
130 NAG NDG BMA 0.406977 0.90566
131 MAN MAN NAG MAN NAG 0.40625 0.979592
132 NAG NAG BMA MAN MAN 0.40625 0.979592
133 NAG NAG BMA MAN NAG 0.405941 0.924528
134 GYT 0.402439 0.830508
135 GAL MGC 0.4 0.92
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PNF; Ligand: NDG NAG; Similar sites found: 24
This union binding pocket(no: 1) in the query (biounit: 1pnf.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DJT FMN 0.02821 0.40081 None
2 1NE7 16G 0.006593 0.41386 1.38408
3 5NJI 8Z2 0.02432 0.4161 1.91083
4 1SR7 MOF 0.04895 0.40101 2.7027
5 1WK9 TSB 0.01741 0.40142 2.73973
6 4CFP NAG AMU NAG AMV 0.02915 0.4027 2.86624
7 1ZM1 BGC BGC BGC 0.01552 0.40861 2.90456
8 3LJU IP9 0.01247 0.40591 3.18471
9 4OEV OXL 0.007497 0.40224 3.18471
10 5K13 6Q7 0.02442 0.40214 4.06504
11 4A2B AGS 0.01915 0.40971 4.14013
12 3M6P BB2 0.007683 0.42992 4.14508
13 2EW5 Y12 0.01278 0.41768 4.41989
14 1KQB BEZ 0.0203 0.41195 4.60829
15 2CWH NDP 0.01313 0.42544 5.09554
16 2CWH PYC 0.01678 0.42514 5.09554
17 2WDB NAG MAN 0.002207 0.42201 5.41401
18 5FA5 MTA 0.009393 0.42114 5.73248
19 4WNK 453 0.04277 0.40165 7.00637
20 4RYV ZEA 0.008979 0.4133 7.74194
21 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.02391 0.42051 8.42105
22 4USQ FAD 0.0432 0.41153 10.1911
23 3R5J ACE ALA ASP VAL ALA ASA 0.02783 0.40053 11.6071
24 1U0A BGC BGC BGC BGC 0.005512 0.43272 12.6168
Feedback