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Receptor
PDB id Resolution Class Description Source Keywords
2GMP 2.5 Å NON-ENZYME: BINDING METAL-FREE (APO) P. ANGOLENSIS SEED LECTIN IN COMPLEX WITH G BETA(1-2)MAN PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTIN SUGAR COMPLEX GLCNAC-BETABETA SANDWICH SUGAR BINDING PROTEIN
Ref.: INTERPLAY BETWEEN METAL BINDING AND CIS/TRANS ISOME IN LEGUME LECTINS: STRUCTURAL AND THERMODYNAMIC STU ANGOLENSIS LECTIN. J.MOL.BIOL. V. 361 153 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG MAN A:253;
B:253;
Valid;
Valid;
none;
none;
submit data
381.334 n/a O=C(N...
SO4 A:255;
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
2GMP 2.5 Å NON-ENZYME: BINDING METAL-FREE (APO) P. ANGOLENSIS SEED LECTIN IN COMPLEX WITH G BETA(1-2)MAN PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTIN SUGAR COMPLEX GLCNAC-BETABETA SANDWICH SUGAR BINDING PROTEIN
Ref.: INTERPLAY BETWEEN METAL BINDING AND CIS/TRANS ISOME IN LEGUME LECTINS: STRUCTURAL AND THERMODYNAMIC STU ANGOLENSIS LECTIN. J.MOL.BIOL. V. 361 153 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2GMP - NAG MAN 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 391 families.
1 2GMP - NAG MAN 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 298 families.
1 2GMP - NAG MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG MAN; Similar ligands found: 111
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG MAN 1 1
2 MAG 0.557377 0.857143
3 2F8 0.557377 0.857143
4 CBS 0.542857 0.938776
5 NDG NAG 0.542857 0.938776
6 CBS CBS 0.542857 0.938776
7 NAG GDL 0.542857 0.938776
8 A2G MBG 0.535211 0.918367
9 MBG A2G 0.535211 0.918367
10 NAG GAL 0.528571 0.957447
11 GAL NAG 0.528571 0.957447
12 NGA GAL 0.527778 0.897959
13 NAG NGA 0.521127 0.938776
14 NAG MBG 0.521127 0.918367
15 NAG A2G 0.521127 0.938776
16 CTO 0.513514 0.959184
17 NAG NAG NDG NAG 0.513514 0.959184
18 NAG NAG NAG NAG NAG NAG NAG NAG 0.513514 0.959184
19 NAG NAG NDG 0.513514 0.959184
20 NAG NAG NAG NAG NAG 0.513514 0.959184
21 NAG NDG 0.513514 0.849057
22 NDG NAG NAG 0.513514 0.959184
23 NDG NAG NAG NAG 0.513514 0.959184
24 NAG NAG NAG NAG NAG NAG 0.513514 0.959184
25 NAG NAG 0.513514 0.849057
26 NDG NAG NAG NDG 0.513514 0.959184
27 NAG NAG NAG NDG 0.513514 0.959184
28 NAG NAG NAG NAG NDG 0.513514 0.959184
29 NGA GAL BGC 0.513158 0.957447
30 GN1 0.5 0.785714
31 NGT NAG 0.5 0.779661
32 NG1 0.5 0.785714
33 3QL 0.493506 0.867925
34 NAG GAL NAG 0.4875 0.938776
35 NAG GAL BGC 0.4875 0.957447
36 NAG NAG NAG NAG 0.4875 0.886792
37 NAG NAG NAG 0.4875 0.886792
38 GAL NGA A2G 0.480519 0.938776
39 A2G GAL FUC 0.475 0.9375
40 NGA GAL FUC 0.475 0.9375
41 FUC GAL A2G 0.475 0.9375
42 A2G GLA FUC 0.475 0.9375
43 FUC GLA A2G 0.475 0.9375
44 DLD 0.46988 0.779661
45 NAG NM9 0.469136 0.921569
46 NAG MAN BMA 0.468354 0.957447
47 TNR 0.465753 0.862745
48 NAG NAG NGT 0.465116 0.79661
49 3YW 0.464789 0.875
50 Z4S NAG NAG 0.464286 0.886792
51 NAG MAN MMA 0.4625 0.918367
52 NGA GLA GAL BGC 0.458824 0.957447
53 NAG AMU 0.457831 0.94
54 NAG MUB 0.457831 0.94
55 MAN MAN NAG 0.451219 0.918367
56 6Y2 0.448276 0.734375
57 NOJ NAG NAG 0.447059 0.821429
58 NOJ NAG NAG NAG 0.447059 0.839286
59 GYU 0.445946 0.77193
60 NAG MAN MAN 0.445783 0.957447
61 AH0 NAG 0.440476 0.87037
62 AO3 0.434783 0.723077
63 NAA NAA AMI 0.434783 0.723077
64 FUC BGC GAL NAG 0.433333 0.9375
65 HD4 0.432099 0.775862
66 BMA Z4Y NAG 0.431818 0.9375
67 LEC NGA 0.431818 0.734375
68 LEC 0.43038 0.714286
69 6ZC 0.43038 0.714286
70 BGC FUC GAL FUC A2G 0.428571 0.958333
71 GLC FUC GAL FUC A2G 0.428571 0.958333
72 MA8 0.428571 0.811321
73 GUM 0.425532 0.839286
74 FUC GAL NAG A2G 0.423913 0.959184
75 A2G GAL BGC FUC 0.423913 0.9375
76 A2G GAL NAG FUC 0.423913 0.959184
77 GAL LOG 0.423077 0.807018
78 BGA 0.419355 0.821429
79 8VZ 0.418919 0.92
80 NDG GAL 0.418919 0.957447
81 GAL NDG 0.418919 0.957447
82 NLC 0.418919 0.957447
83 MMA MAN NAG MAN NAG NAG 0.417582 0.94
84 NAG AMU NAG AMV 0.417582 0.921569
85 FHY 0.417582 0.886792
86 UMG 0.416667 0.839286
87 NAG AH0 0.41573 0.87037
88 SN5 SN5 0.415584 0.773585
89 FUC GAL NAG A2G FUC 0.414894 0.959184
90 NAG GAL FUC FUC A2G 0.414894 0.959184
91 GAL NAG MAN 0.414634 0.957447
92 3PV 0.413043 0.865385
93 NAG BDP NAG BDP NAG BDP NAG 0.413043 0.94
94 GAL NAG GAL 0.411765 0.918367
95 NAG MAN MAN MAN NAG 0.411111 0.938776
96 57S 0.409639 0.775862
97 GDL 0.409091 0.893617
98 NAG NAG BMA 0.406977 0.867925
99 NAG A2G GAL 0.406977 0.938776
100 NAG NDG BMA 0.406977 0.867925
101 NDG 0.40625 0.851064
102 NAG 0.40625 0.851064
103 HSQ 0.40625 0.851064
104 NGA 0.40625 0.851064
105 BM3 0.40625 0.851064
106 A2G 0.40625 0.851064
107 GYT 0.402439 0.79661
108 GAL A2G 0.4 0.957447
109 A2G GAL 0.4 0.957447
110 GAL NGA 0.4 0.957447
111 GAL MGC 0.4 0.918367
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GMP; Ligand: NAG MAN; Similar sites found with APoc: 112
This union binding pocket(no: 1) in the query (biounit: 2gmp.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1KNM LAT 2.30769
2 2A8X FAD 2.38095
3 2HIM ASN 2.38095
4 2HIM ASP 2.38095
5 2JJK R15 2.77778
6 1B8O IMH 2.77778
7 1V59 FAD 2.77778
8 3PT9 SAH 2.77778
9 1I9G SAM 3.1746
10 2Z6J FMN 3.1746
11 1FL2 FAD 3.1746
12 3NKS FAD 3.1746
13 2ZC0 PMP 3.1746
14 3H8C NSZ 3.18182
15 5TQZ GLC 3.33333
16 1WPY BTN 3.40426
17 1ZB6 GST 3.57143
18 4GK9 MAN BMA MAN MAN MAN 3.57143
19 6GAS FAD 3.62538
20 1DEK DGP 3.73444
21 1MO9 FAD 3.96825
22 1MO9 KPC 3.96825
23 4GKV NAD 3.96825
24 5XFH NAG MAN BMA MAN NAG GAL 4.13793
25 1U9Q 186 4.18605
26 2Q0L FAD 4.36508
27 2CUN 3PG 4.36508
28 3HDY FDA 4.36508
29 2D1S SLU 4.36508
30 3LLZ GAL NGA 4.51128
31 5EOW FAD 4.69136
32 3QVP FAD 4.7619
33 1FEC FAD 4.7619
34 3HAZ NAD 4.7619
35 3MB5 SAM 4.7619
36 2PWY SAH 4.7619
37 3UZO GLU 4.7619
38 4P6G 2FZ 4.86726
39 5YRG BGC GLC 4.92958
40 5YRF GLC GLC 4.92958
41 2RAB NAD 5.15873
42 2RAB FAD 5.15873
43 1PVN MZP 5.55556
44 4LH0 GLV 5.95238
45 3LL5 IPE 6.0241
46 3LL5 ADP 6.0241
47 5UWS GNP 6.32911
48 5DI9 GNP 6.32911
49 5UWP GNP 6.32911
50 5DIF GNP 6.32911
51 5UWJ GNP 6.32911
52 5UWT GNP 6.32911
53 5YRI GLC GLC 6.33803
54 5YRL GLC GLC 6.33803
55 5YRM BGC GLC 6.33803
56 5YRJ BGC GLC 6.33803
57 4BNU 9KQ 6.34921
58 2JK0 ASP 6.34921
59 4ZGR NGA GAL 6.47773
60 2NU5 NAG 6.55738
61 2GUC MAN 6.55738
62 2GUD MAN 6.55738
63 2HYR BGC GLC 6.55738
64 2HYQ MAN MAN 6.55738
65 2NUO BGC 6.55738
66 2GUD BMA 6.55738
67 2GUE NAG 6.55738
68 4MO2 FDA 6.74603
69 4MO2 FAD 6.74603
70 4HAT GNP 6.94444
71 3VY6 BGC BGC 7.0922
72 3Q87 SAM 7.2
73 2BOS GLA GAL GLC NBU 7.35294
74 3LAD FAD 7.53968
75 1KUV CA5 7.72947
76 2Q7V FAD 7.93651
77 5GVH FMN 7.93651
78 4XFR CIT 8.33333
79 1NVM NAD 8.33333
80 2GV8 FAD 9.52381
81 3WLE NAD 9.52381
82 4RPL FAD 9.92064
83 4RPL 3UC 9.92064
84 6D55 GNP 9.92064
85 6D5G GNP 9.92064
86 6D5J GNP 9.92064
87 6BVK GNP 9.92064
88 6D5H GNP 9.92064
89 6D5V GNP 9.92064
90 6BVL GNP 9.92064
91 6D5E GNP 9.92064
92 6D59 GNP 9.92064
93 6D5L GNP 9.92064
94 6D56 GNP 9.92064
95 6BVI GNP 9.92064
96 6BVJ GNP 9.92064
97 6BVM GNP 9.92064
98 6D5M GNP 9.92064
99 1NVV GNP 9.92064
100 1IYE PGU 10.7143
101 5EYP GTP 11.1111
102 3RYC GTP 11.1111
103 4LNU GTP 11.1111
104 1UAD GNP 11.1111
105 2HQM FAD 11.5079
106 4AKB GAL 12.782
107 3R51 MMA 13.75
108 3QFA FAD 15.873
109 4J56 FAD 18.4211
110 2DUR MAN MAN 19.8413
111 4ZNO SUC 21.0317
112 5ITZ GTP 27.907
Pocket No.: 2; Query (leader) PDB : 2GMP; Ligand: NAG MAN; Similar sites found with APoc: 139
This union binding pocket(no: 2) in the query (biounit: 2gmp.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4CZG ADP 1.5873
2 4CZG QH3 1.5873
3 5FFF NAP 1.5873
4 2IV3 UDP 1.5873
5 1AE1 NAP 1.5873
6 3V1Y NAD 1.98413
7 3VPH NAD 1.98413
8 6H3O FAD 2.38095
9 1X87 NAD 2.38095
10 2ED4 FAD 2.38095
11 5UR1 YY9 2.38095
12 5DEP UD1 2.38095
13 4M52 FAD 2.38095
14 3MJY IJZ 2.38095
15 3MJY FMN 2.38095
16 3O84 HTJ 2.38095
17 1XHL NDP 2.38095
18 2RHO GSP 2.38095
19 5EOU ATP 2.41935
20 2BKA NDP 2.47934
21 2RGO FAD 2.77778
22 3ABA FLI 2.77778
23 2AE2 PTO 2.77778
24 2AE2 NAP 2.77778
25 3CQD ATP 2.77778
26 4MP8 NAD 2.77778
27 4MP8 MLI 2.77778
28 6F7L FAD 2.77778
29 5U23 TQP 2.77778
30 2OZL TPP 2.77778
31 1USF FMN 2.80899
32 1USF NAP 2.80899
33 4USQ FAD 3.1746
34 3A7R LAQ 3.1746
35 2WET FAD 3.1746
36 1W5F G2P 3.1746
37 3EXH TPP 3.1746
38 2OJW ADP 3.1746
39 6FA4 GNP 3.46821
40 5XFV FMN 3.57143
41 5BVA FAD 3.57143
42 3C3N FMN 3.57143
43 4UTG ANP 3.57143
44 4FC7 NAP 3.57143
45 4FC7 COA 3.57143
46 3A4X NAG NAG NAG NDG 3.57143
47 1SAY PYR 3.57143
48 3GRU AMP 3.57143
49 1VYP FMN 3.57143
50 1UP7 NAD 3.57143
51 3ORF NAD 3.58566
52 5OCG GNP 3.7037
53 5LY3 ADP 3.96825
54 6CI9 NAP 3.96825
55 4DDY DN6 3.96825
56 2VUT NAD 3.96825
57 1MHW BP4 CYS DAR TYR PEA 4
58 5T2U NAP 4.03226
59 3CIF NAD 4.36508
60 2R4J FAD 4.36508
61 2R4J 13P 4.36508
62 1PZO CBT 4.36508
63 2B4R NAD 4.36508
64 2GCG NDP 4.36508
65 2CXS F6P 4.36508
66 1EU1 GLC 4.36508
67 1KYQ NAD 4.37956
68 1B8U OAA 4.55927
69 3DZD ADP 4.7619
70 2VAP GDP 4.7619
71 2Q4H AMP 4.7619
72 4A3U FMN 4.7619
73 4JNE ATP 4.7619
74 2R75 01G 4.7619
75 1LFD GNP 4.79042
76 3DDC GNP 4.81928
77 3NCQ ATP 5.04202
78 1OVD ORO 5.15873
79 1OVD FMN 5.15873
80 5GSN FAD 5.15873
81 1X7D NAD 5.15873
82 5KVA SAM 5.15873
83 4USR FAD 5.55556
84 3ITJ FAD 5.55556
85 1WY7 SAH 5.55556
86 4XYB NDP 5.55556
87 2XTZ GSP 5.55556
88 3B1J NAD 5.95238
89 4BV6 FAD 5.95238
90 2OGA PGU 5.95238
91 2Q28 ADP 5.95238
92 4HDO GNP 5.98802
93 1GUA GNP 5.98802
94 3X1Z GNP 5.98802
95 5UWO GNP 6.32911
96 5UWQ GNP 6.32911
97 5DHF GNP 6.32911
98 5UWR GNP 6.32911
99 6CIT GNP 6.32911
100 5UWI GNP 6.32911
101 5UWW GNP 6.32911
102 5UWH GNP 6.32911
103 2DM6 NAP 6.34921
104 4UP3 FAD 6.34921
105 2PID YSA 6.46067
106 3LZW FAD 6.62651
107 6AIN FAD 6.74603
108 5NDF UDP 6.74603
109 3GJX GTP 6.94444
110 1IBR GNP 6.94444
111 16PK BIS 7.14286
112 3KCC CMP 7.14286
113 1H9A NAP 7.53968
114 5WDR GNP 7.53968
115 1LVW TYD 7.53968
116 1SVK ALF GDP 7.53968
117 4XOI GTP 7.77778
118 6HH6 A3R 7.93651
119 5G1X ADP 7.93651
120 5YSS NAD 8.33333
121 2C6Q IMP 8.33333
122 4N9I PCG 8.57143
123 6BCA GSP 8.64865
124 3ATY FMN 8.73016
125 1YQS BSA 8.73016
126 1E5D FMN 9.12698
127 2BP1 NDP 9.12698
128 1NF3 GNP 9.23077
129 1WA5 GTP 9.52381
130 2GVC FAD 9.52381
131 1RM0 NAI 9.92064
132 3FRK TQP 10.3175
133 5ODQ FAD 12.8571
134 4ZUL UN1 13.8889
135 1BZL FAD 15.4762
136 1BZL GCG 15.4762
137 5UWU GNP 20
138 3M1I GTP 28.3105
139 3WYF GTP 28.3105
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