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Receptor
PDB id Resolution Class Description Source Keywords
2DQA 1.6 Å EC: 3.2.1.17 CRYSTAL STRUCTURE OF TAPES JAPONICA LYSOZYME TAPES JAPONICA LYSOZYME ENZYME SUBSTRATE COMPLEX HYDROLASE
Ref.: CRYSTAL STRUCTURE OF TAPES JAPONICA LYSOZYME WITH S ANALOGUE: STRUCTURAL BASIS OF THE CATALYTIC MECHANI MANIFESTATION OF ITS CHITINASE ACTIVITY ACCOMPANIED QUATERNARY STRUCTURAL CHANGE J.BIOL.CHEM. V. 282 27459 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC B:2001;
B:3001;
Invalid;
Invalid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
NAG NAG NAG C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
611.598 n/a O=C(N...
PT A:1201;
A:1205;
A:1206;
A:1211;
B:1202;
C:1212;
D:1213;
D:1214;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
195.078 Pt [Pt+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2DQA 1.6 Å EC: 3.2.1.17 CRYSTAL STRUCTURE OF TAPES JAPONICA LYSOZYME TAPES JAPONICA LYSOZYME ENZYME SUBSTRATE COMPLEX HYDROLASE
Ref.: CRYSTAL STRUCTURE OF TAPES JAPONICA LYSOZYME WITH S ANALOGUE: STRUCTURAL BASIS OF THE CATALYTIC MECHANI MANIFESTATION OF ITS CHITINASE ACTIVITY ACCOMPANIED QUATERNARY STRUCTURAL CHANGE J.BIOL.CHEM. V. 282 27459 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2DQA - NAG NAG 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 10 families.
1 2DQA - NAG NAG 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 7 families.
1 2DQA - 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 : 2DQA; Ligand: NAG NAG NAG; Similar sites found with APoc: 77
This union binding pocket(no: 1) in the query (biounit: 2dqa.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1KZL CRM None
2 5I8F ML1 None
3 5YW5 ADE None
4 4CNG SAH None
5 2W9S NDP None
6 5H86 BCO None
7 2H29 DND 0.806452
8 4OLT GCS GCS GCS GCS GCS GCS 1.6129
9 4N70 2HX 1.6129
10 5MUY MGT 2.41935
11 3NW7 LGV 2.41935
12 4DHY GLC 2.41935
13 4I7E PEP 2.41935
14 3W6C NAG NAG 2.41935
15 2ZFZ ARG 2.53165
16 5O2N NAG 3.22581
17 3BPX SAL 3.22581
18 1BOB ACO 3.22581
19 5O2N NAG NAG NDG NAG 3.22581
20 4AUT FAD 3.22581
21 4NTO 1PW 3.22581
22 3N75 G4P 3.22581
23 4C3Y FAD 3.22581
24 4C3Y ANB 3.22581
25 3GD8 GOL 3.22581
26 4CFP NAG AMU NAG AMV 4.03226
27 5TWJ SAM 4.03226
28 1P9P SAH 4.03226
29 1KYA XYD 4.03226
30 4G6I RS3 4.03226
31 1OZH HE3 4.03226
32 1HBK MYR 4.49438
33 6CFC BLG 4.83871
34 4P8K 38C 4.83871
35 4P8K FAD 4.83871
36 3TDC 0EU 4.83871
37 5OGX FAD 4.83871
38 3KJS NAP 4.83871
39 3VEH 0GA 4.83871
40 6CUZ FEV 4.83871
41 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.64516
42 3CQL NAG 5.64516
43 5AO7 NAG 5.64516
44 3NB0 G6P 5.64516
45 3WH1 NAG NAG NAG NAG 5.64516
46 2QTR NXX 7.25806
47 2HHP FLC 7.25806
48 5O96 SAM 7.25806
49 1QX4 FAD 7.25806
50 4B5P ACO 8.06452
51 5G5G FAD 8.06452
52 3ZV6 NAD 8.06452
53 4YRY NAD 8.87097
54 6BA2 7KM 8.87097
55 2JDC CAO 9.67742
56 4GAH 0ET 10.4839
57 5AZC PGT 10.4839
58 4MIB 28M 10.4839
59 1QSR ACO 10.4839
60 4H6U ACO 11.2903
61 3A3B RBF 11.2903
62 1IM8 SAI 11.2903
63 5GK9 ACO 12.0968
64 4WGF HX2 12.0968
65 1PCA CIT 12.0968
66 1K4M NAD 12.9032
67 4GUT FAD 13.7097
68 4GUS FAD 13.7097
69 4FWE FAD 13.7097
70 4HSU FAD 13.7097
71 5UAV NDP 15.3226
72 5UAV TFB 15.3226
73 4HJY NAG NAG NAG 16.129
74 6GMN F4E 17.5258
75 1PVC ILE SER GLU VAL 22.5806
76 1I36 NAP 24.1935
77 2XN3 ID8 25.8065
Pocket No.: 2; Query (leader) PDB : 2DQA; Ligand: NAG NAG NAG; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 2dqa.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4DE3 DN8 7.25806
2 4WZ8 3W7 10.4839
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