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
383.35 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 473 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 355 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 272 families.
1 2GMP - NAG MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG MAN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG MAN 1 1
2 5AX 0.660714 0.862745
3 FUC GAL NAG A2G 0.414894 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GMP; Ligand: NAG MAN; Similar sites found: 96
This union binding pocket(no: 1) in the query (biounit: 2gmp.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CZG QH3 0.02751 0.41932 1.5873
2 4CZG ADP 0.02639 0.41932 1.5873
3 1AE1 NAP 0.04699 0.401 1.5873
4 2A8X FAD 0.01246 0.44269 2.38095
5 5UR1 YY9 0.0337 0.41162 2.38095
6 4M52 FAD 0.04044 0.41094 2.38095
7 2ED4 FAD 0.02945 0.41083 2.38095
8 3O84 HTJ 0.0316 0.40696 2.38095
9 1XHL NDP 0.04603 0.40364 2.38095
10 2RHO GSP 0.04209 0.40056 2.38095
11 5EOU ATP 0.009566 0.42709 2.41935
12 2BKA NDP 0.03416 0.40769 2.47934
13 3Q9T FAY 0.01401 0.46353 2.77778
14 2RGO FAD 0.027 0.42553 2.77778
15 1B8O IMH 0.02103 0.41137 2.77778
16 4MP8 NAD 0.04066 0.40875 2.77778
17 5U23 TQP 0.04183 0.40445 2.77778
18 1USF FMN 0.03532 0.4051 2.80899
19 1USF NAP 0.04073 0.4051 2.80899
20 4USQ FAD 0.02688 0.42005 3.1746
21 3A7R LAQ 0.02534 0.41705 3.1746
22 1W5F G2P 0.03537 0.40313 3.1746
23 3H8C NSZ 0.01838 0.42564 3.18182
24 5TQZ GLC 0.0003685 0.45804 3.33333
25 2B4G FMN 0.01754 0.4222 3.57143
26 3A4X NAG NAG NAG NDG 0.02971 0.40966 3.57143
27 1SAY PYR 0.04093 0.4076 3.57143
28 3GRU AMP 0.03093 0.40126 3.57143
29 1VYP FMN 0.03398 0.40109 3.57143
30 3ORF NAD 0.02847 0.41159 3.58566
31 1DEK DGP 0.007049 0.43131 3.73444
32 2VUT NAD 0.03116 0.40156 3.96825
33 1MHW BP4 CYS DAR TYR PEA 0.01142 0.42542 4
34 1U9Q 186 0.01628 0.40889 4.18605
35 3CIF NAD 0.01618 0.4259 4.36508
36 1PZO CBT 0.02708 0.42353 4.36508
37 2B4R NAD 0.02661 0.41815 4.36508
38 2D1S SLU 0.02481 0.41703 4.36508
39 2CXS F6P 0.02235 0.40715 4.36508
40 1B8U OAA 0.03722 0.41247 4.55927
41 1FEC FAD 0.01637 0.43716 4.7619
42 3DZD ADP 0.01567 0.412 4.7619
43 2VAP GDP 0.03289 0.40864 4.7619
44 4A3U FMN 0.02338 0.40284 4.7619
45 4JNE ATP 0.03235 0.40213 4.7619
46 2R75 01G 0.04286 0.40126 4.7619
47 1LFD GNP 0.02041 0.41659 4.79042
48 3DDC GNP 0.02594 0.41136 4.81928
49 1OVD FMN 0.02425 0.4257 5.15873
50 1OVD ORO 0.02425 0.4257 5.15873
51 5KVA SAM 0.03398 0.40062 5.15873
52 4USR FAD 0.01237 0.43726 5.55556
53 1WY7 SAH 0.01883 0.41204 5.55556
54 2XTZ GSP 0.04055 0.40332 5.55556
55 3B1J NAD 0.01512 0.43028 5.95238
56 4BV6 FAD 0.03587 0.42015 5.95238
57 2OGA PGU 0.02292 0.40766 5.95238
58 4HDO GNP 0.02045 0.41772 5.98802
59 5UWT GNP 0.01999 0.41796 6.32911
60 5UWI GNP 0.02202 0.41533 6.32911
61 2PID YSA 0.04119 0.40367 6.46067
62 2GUC MAN 0.000007646 0.54721 6.55738
63 2GUE NAG 0.000001096 0.46965 6.55738
64 2NU5 NAG 0.000008179 0.46843 6.55738
65 2GUD MAN 0.000009094 0.46655 6.55738
66 2HYR BGC GLC 0.00001307 0.46067 6.55738
67 2GUD BMA 0.000018 0.45545 6.55738
68 2NUO BGC 0.00002292 0.45299 6.55738
69 2HYQ MAN MAN 0.00009697 0.44559 6.55738
70 4HAT GNP 0.0197 0.41934 6.94444
71 3GJX GTP 0.02089 0.41693 6.94444
72 1IBR GNP 0.02149 0.41602 6.94444
73 3VY6 BGC BGC 0.00001976 0.45508 7.0922
74 16PK BIS 0.0349 0.41722 7.14286
75 3KCC CMP 0.02244 0.40473 7.14286
76 1H9A NAP 0.03532 0.41316 7.53968
77 5WDR GNP 0.03611 0.40302 7.53968
78 1SVK ALF GDP 0.04841 0.40055 7.53968
79 2Q7V FAD 0.01912 0.42976 7.93651
80 4XFR CIT 0.006088 0.41103 8.33333
81 3ATY FMN 0.01546 0.41704 8.73016
82 1YQS BSA 0.03831 0.41164 8.73016
83 1ZGA HMK 0.02358 0.4228 9.12698
84 2BP1 NDP 0.04296 0.40802 9.12698
85 1NF3 GNP 0.03142 0.40705 9.23077
86 1NVV GNP 0.0163 0.42264 9.92064
87 3FRK TQP 0.04827 0.40014 10.3175
88 1UAD GNP 0.02444 0.41432 11.1111
89 3RYC GTP 0.0308 0.41064 11.1111
90 2HQM FAD 0.01164 0.44382 11.5079
91 1BZL FAD 0.02855 0.44741 15.4762
92 4J56 FAD 0.03058 0.41924 18.4211
93 2DUR MAN MAN 0.0005707 0.4747 19.8413
94 4ZNO SUC 0.00004432 0.51683 21.0317
95 3M1I GTP 0.02463 0.41265 28.3105
96 3WYF GTP 0.0408 0.40052 28.3105
Pocket No.: 2; Query (leader) PDB : 2GMP; Ligand: NAG MAN; Similar sites found: 28
This union binding pocket(no: 2) in the query (biounit: 2gmp.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PT9 SAH 0.02119 0.4 2.77778
2 1I9G SAM 0.005433 0.43308 3.1746
3 2Z6J FMN 0.01008 0.43003 3.1746
4 1FL2 FAD 0.02864 0.4179 3.1746
5 2BRY FAD 0.03515 0.40634 3.57143
6 1ZB6 GST 0.03161 0.40424 3.57143
7 1MO9 FAD 0.0187 0.45059 3.96825
8 4GKV NAD 0.03504 0.40746 3.96825
9 3HDY FDA 0.03464 0.42776 4.36508
10 3LLZ GAL NGA 0.004908 0.41953 4.51128
11 3QVP FAD 0.02907 0.42013 4.7619
12 3HAZ NAD 0.01833 0.41781 4.7619
13 3MB5 SAM 0.0154 0.41355 4.7619
14 2PWY SAH 0.02488 0.40294 4.7619
15 3UZO GLU 0.03145 0.40054 4.7619
16 2RAB FAD 0.01548 0.43584 5.15873
17 2RAB NAD 0.02677 0.43584 5.15873
18 1PVN MZP 0.04286 0.40753 5.55556
19 5UWP GNP 0.02768 0.40473 6.32911
20 4BNU 9KQ 0.02257 0.40358 6.34921
21 4ZGR NGA GAL 0.006938 0.41747 6.47773
22 3Q87 SAM 0.02461 0.40319 7.2
23 1KUV CA5 0.03794 0.4024 7.72947
24 2GV8 FAD 0.03636 0.4066 9.52381
25 4RPL 3UC 0.03061 0.4331 9.92064
26 4RPL FAD 0.02942 0.43235 9.92064
27 5EYP GTP 0.01253 0.42248 11.1111
28 4LNU GTP 0.02971 0.40313 11.1111
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