Receptor
PDB id Resolution Class Description Source Keywords
2GN3 1.97 Å NON-ENZYME: BINDING METAL-FREE (APO-PAL) IN COMPLEX WITH ALPHA-D-MET-MAN PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTIN SUGAR COMPLEX MANNOSE BETA SANDWICH SUGAR BINDING PROTEIN
Ref.: INTERPLAY BETWEEN METAL BINDING AND CIS/TRANS ISOMERIZATION IN LEGUME LECTINS: STRUCTURAL AND THERMODYNAMIC STUDY OF P. 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
MAN A:300;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
MMA B:300;
Valid;
none;
submit data
194.182 C7 H14 O6 CO[C@...
SO4 A:305;
B:306;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GN3 1.97 Å NON-ENZYME: BINDING METAL-FREE (APO-PAL) IN COMPLEX WITH ALPHA-D-MET-MAN PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTIN SUGAR COMPLEX MANNOSE BETA SANDWICH SUGAR BINDING PROTEIN
Ref.: INTERPLAY BETWEEN METAL BINDING AND CIS/TRANS ISOMERIZATION IN LEGUME LECTINS: STRUCTURAL AND THERMODYNAMIC STUDY OF P. 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 2GN3 - MMA C7 H14 O6 CO[C@@H]1[....
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 2GN3 - MMA C7 H14 O6 CO[C@@H]1[....
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 2GN3 - MMA C7 H14 O6 CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Ligand no: 2; Ligand: MMA; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 MBG 1 1
2 AMG 1 1
3 MMA 1 1
4 GYP 1 1
5 MAN MMA 0.651163 0.914286
6 GAL MBG 0.613636 0.914286
7 DR5 0.613636 0.914286
8 M13 0.613636 0.914286
9 MMA MAN 0.613636 0.914286
10 MDM 0.613636 0.914286
11 TRE 0.583333 0.857143
12 GLA MBG 0.581395 0.914286
13 MA3 0.525 0.914286
14 XGP 0.512195 0.674419
15 M1P 0.512195 0.674419
16 G1P 0.512195 0.674419
17 GL1 0.512195 0.674419
18 DEG 0.488889 0.837838
19 BGC BGC 0.478261 0.857143
20 MAN MAN 0.478261 0.857143
21 2M4 0.478261 0.857143
22 WZ1 0.470588 0.842105
23 MAG 0.468085 0.727273
24 2F8 0.468085 0.727273
25 RGG 0.466667 0.909091
26 MAN MMA MAN 0.464286 0.914286
27 GLC SSG SGC SGC MA3 0.462963 0.842105
28 BGC SGC SGC GTM 0.462963 0.842105
29 BGC SSG SSG SGC MA3 0.462963 0.842105
30 GAL MGC 0.462963 0.680851
31 GAT 0.458333 0.674419
32 JZR 0.458333 0.775
33 BHG 0.458333 0.775
34 HEX GLC 0.458333 0.775
35 GLC HEX 0.458333 0.775
36 SMD 0.45098 0.842105
37 2GS 0.45 1
38 KGM 0.44898 0.756098
39 B7G 0.44898 0.756098
40 LAT GLA 0.446809 0.857143
41 2M8 0.446809 0.882353
42 GTM BGC BGC 0.442623 0.842105
43 BOG 0.44 0.756098
44 GLC GLO 0.44 0.909091
45 HSJ 0.44 0.756098
46 BNG 0.44 0.756098
47 R1P 0.439024 0.6
48 GLA GAL 0.4375 0.857143
49 BGC GAL 0.4375 0.857143
50 GLC BGC 0.4375 0.857143
51 GLC GAL 0.4375 0.857143
52 BGC BMA 0.4375 0.857143
53 BMA BMA 0.4375 0.857143
54 EBQ 0.4375 0.810811
55 M3M 0.4375 0.857143
56 LB2 0.4375 0.857143
57 MAB 0.4375 0.857143
58 56N 0.4375 0.805556
59 EBG 0.4375 0.810811
60 CBK 0.4375 0.857143
61 LAT 0.4375 0.857143
62 GAL BGC 0.4375 0.857143
63 BMA GAL 0.4375 0.857143
64 MAL MAL 0.4375 0.833333
65 B2G 0.4375 0.857143
66 MAN GLC 0.4375 0.857143
67 N9S 0.4375 0.857143
68 GAL GLC 0.4375 0.857143
69 GLA GLA 0.4375 0.857143
70 LBT 0.4375 0.857143
71 CBI 0.4375 0.857143
72 BGC GLC 0.4375 0.857143
73 MAL 0.4375 0.857143
74 GAL FUC 0.431373 0.857143
75 BMA BMA MAN 0.431373 0.833333
76 A2G MBG 0.431034 0.680851
77 MBG A2G 0.431034 0.680851
78 GLA GLC 0.428571 0.857143
79 GLA BMA 0.428571 0.857143
80 MLB 0.428571 0.857143
81 MAN BMA 0.428571 0.857143
82 BMA GLA 0.428571 0.857143
83 GAL GAL 0.428571 0.857143
84 LAK 0.428571 0.857143
85 BGC GLA 0.428571 0.857143
86 GLA BGC 0.428571 0.857143
87 WZ2 0.42623 0.842105
88 GLA EGA 0.423077 0.861111
89 GAL PHB 0.423077 0.783784
90 RZM 0.42 0.666667
91 T6P 0.42 0.666667
92 MGL SGC GLC GLC 0.415385 0.842105
93 BGC BGC SGC MGL 0.415385 0.842105
94 VAM 0.415094 0.842105
95 MAN MAN BMA 0.415094 0.857143
96 NAG MBG 0.413793 0.680851
97 HNV 0.413793 0.842105
98 WZ3 0.412698 0.888889
99 MAN MAN MAN 0.411765 0.857143
100 SUC 0.411765 0.789474
101 SER MAN 0.411765 0.75
102 SWE 0.411765 0.789474
103 BMA MAN 0.411765 0.833333
104 DOM 0.411765 0.810811
105 GLC GLC GLC 0.411765 0.857143
106 MAN 7D1 0.411765 0.810811
107 GLC GLC GLC GLC GLC BGC 0.411765 0.857143
108 GLC GLC GLC GLC BGC 0.411765 0.857143
109 GLC FRU 0.411765 0.789474
110 MFU 0.410256 0.727273
111 MFB 0.410256 0.727273
112 XLM 0.407407 0.888889
113 3X8 0.407407 0.763158
114 FK9 0.407407 0.756098
115 GLC GAL GAL 0.403846 0.857143
116 BMA BMA BMA 0.403846 0.857143
117 BGC GLC GLC 0.403846 0.857143
118 MAN BMA BMA BMA BMA 0.403846 0.857143
119 GLC BGC BGC BGC BGC BGC 0.403846 0.857143
120 DXI 0.403846 0.857143
121 CTT 0.403846 0.857143
122 CTR 0.403846 0.857143
123 BGC GLC GLC GLC GLC 0.403846 0.857143
124 MAN MAN BMA BMA BMA BMA 0.403846 0.857143
125 GLC GLC GLC GLC GLC 0.403846 0.857143
126 BGC BGC BGC BGC BGC BGC 0.403846 0.857143
127 CE6 0.403846 0.857143
128 GLA GAL GLC 0.403846 0.857143
129 CE5 0.403846 0.857143
130 BGC BGC BGC GLC 0.403846 0.857143
131 BGC GLC GLC GLC 0.403846 0.857143
132 CE8 0.403846 0.857143
133 MAN BMA BMA 0.403846 0.857143
134 GLC BGC GLC 0.403846 0.857143
135 CT3 0.403846 0.857143
136 GLC GLC BGC GLC GLC GLC GLC 0.403846 0.857143
137 BMA BMA BMA BMA BMA 0.403846 0.857143
138 CEX 0.403846 0.857143
139 B4G 0.403846 0.857143
140 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
141 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.403846 0.857143
142 U63 0.403846 0.769231
143 MLR 0.403846 0.857143
144 CEY 0.403846 0.857143
145 GLC BGC BGC 0.403846 0.857143
146 GLC GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
147 MT7 0.403846 0.857143
148 GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
149 GLC BGC BGC BGC BGC 0.403846 0.857143
150 BMA BMA BMA BMA BMA BMA 0.403846 0.857143
151 MTT 0.403846 0.857143
152 BMA MAN BMA 0.403846 0.857143
153 GLC GLC BGC 0.403846 0.857143
154 BGC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
155 GAL GAL GAL 0.403846 0.857143
156 GLC 7LQ 0.4 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GN3; Ligand: MAN; Similar sites found: 185
This union binding pocket(no: 1) in the query (biounit: 2gn3.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2RH4 EMO 0.0461 0.41353 None
2 1AE1 NAP 0.01882 0.4209 1.5873
3 4CZG QH3 0.0336 0.40907 1.5873
4 4CZG ADP 0.03238 0.40907 1.5873
5 3VPH NAD 0.02949 0.41916 1.98413
6 3VPH OXM 0.03307 0.4187 1.98413
7 4CNK FAD 0.03392 0.40882 1.98413
8 1TB3 FMN 0.04137 0.40588 1.98413
9 1KNM LAT 0.002876 0.40024 2.30769
10 2QV6 GTP 0.008569 0.43796 2.38095
11 4CTA ATP 0.008117 0.43451 2.38095
12 3QFU ADP 0.006878 0.427 2.38095
13 3SQP FAD 0.03927 0.4253 2.38095
14 4HA6 FAD 0.04294 0.40931 2.38095
15 1B57 PGH 0.01078 0.4092 2.38095
16 2QV7 ADP 0.01184 0.40793 2.38095
17 2V2V V12 0.03933 0.4054 2.38095
18 4I42 1HA 0.03526 0.40343 2.38095
19 2HIM ASN 0.005509 0.4017 2.38095
20 2AE2 NAP 0.02129 0.42812 2.77778
21 3Q9T FAY 0.01228 0.41748 2.77778
22 1V59 FAD 0.02813 0.41723 2.77778
23 2IU8 UD1 0.02046 0.40931 2.77778
24 2V7B BEZ 0.01219 0.4084 2.77778
25 5XDT MB3 0.02109 0.40517 2.77778
26 3RNM FAD 0.04868 0.40241 2.77778
27 2OBF F83 0.04967 0.40012 2.77778
28 2B1N LYS ALA SER VAL GLY 0.02459 0.40627 2.84553
29 5THQ NDP 0.02065 0.41103 2.94118
30 1FL2 FAD 0.004705 0.42767 3.1746
31 2ZC0 PMP 0.005337 0.42637 3.1746
32 2UYT ADP 0.01889 0.4247 3.1746
33 5A1S FLC 0.002976 0.42137 3.1746
34 2Z6J FMN 0.008319 0.42126 3.1746
35 2WET FAD 0.03862 0.41993 3.1746
36 3NKS FAD 0.01677 0.41831 3.1746
37 4HVK PMP 0.007402 0.41275 3.1746
38 2Z6I FMN 0.007183 0.4124 3.1746
39 1I9G SAM 0.004934 0.4106 3.1746
40 3H0L ADP 0.02179 0.40642 3.1746
41 5TQZ GLC 0.0000005049 0.62313 3.33333
42 1WPY BTN 0.002849 0.45058 3.40426
43 2DXU BT5 0.006384 0.42991 3.40426
44 2IVD FAD 0.01811 0.43185 3.57143
45 1O94 ADP 0.01359 0.42558 3.57143
46 4B1X ATP 0.02372 0.40306 3.57143
47 2Q3O FMN 0.02839 0.40304 3.57143
48 2V51 ATP 0.02463 0.40067 3.57143
49 1MO9 KPC 0.002164 0.50112 3.96825
50 1WMA AB3 0.009598 0.44996 3.96825
51 1UZN NAP 0.01103 0.41624 3.96825
52 4JTA NAP 0.02371 0.40863 3.96825
53 3ZLB ANP 0.009498 0.40538 3.96825
54 5UAO FAD 0.03992 0.40258 3.96825
55 1WQ1 AF3 0.01149 0.40867 4.21687
56 2GCG NDP 0.004525 0.46729 4.36508
57 2Q0L FAD 0.00349 0.46508 4.36508
58 3O26 NDP 0.007428 0.44076 4.36508
59 2CUN 3PG 0.000846 0.44034 4.36508
60 3GF4 UPG 0.03928 0.41206 4.36508
61 3GF4 FAD 0.03672 0.41206 4.36508
62 2A42 ATP 0.01799 0.41023 4.36508
63 1WDK NAD 0.02732 0.40968 4.36508
64 4G74 FAD 0.03927 0.40272 4.36508
65 2A3Z ATP 0.01918 0.40189 4.36508
66 1KYQ NAD 0.007646 0.41452 4.37956
67 3LDQ 3P1 0.01144 0.41815 4.38596
68 3ZEU ADP 0.0107 0.4023 4.45104
69 3LLZ GAL NGA 0.008876 0.40512 4.51128
70 4B9Q ATP 0.004484 0.44204 4.7619
71 4DQ2 BTX 0.004456 0.43945 4.7619
72 1TPY SAH 0.01399 0.41985 4.7619
73 4A3U FMN 0.00779 0.4188 4.7619
74 1LVL FAD 0.01033 0.41836 4.7619
75 1VFS DCS 0.01276 0.41825 4.7619
76 1NNS ASP 0.004377 0.41033 4.7619
77 3QVP FAD 0.02272 0.40754 4.7619
78 1LVL NAD 0.03391 0.40056 4.7619
79 4P6G 2FZ 0.02175 0.40293 4.86726
80 1QO8 FAD 0.007547 0.45175 5.15873
81 1LYX PGA 0.003739 0.43365 5.15873
82 2RAB NAD 0.01285 0.43097 5.15873
83 2RAB FAD 0.007883 0.43097 5.15873
84 1L1E SAH 0.01068 0.42731 5.15873
85 5JCA FAD 0.03804 0.41875 5.15873
86 1X7D NAD 0.01086 0.41259 5.15873
87 3MAX LLX 0.01503 0.4116 5.15873
88 3H4T UDP 0.007921 0.40772 5.15873
89 5KVA SAM 0.01466 0.40652 5.15873
90 1OVD FMN 0.03085 0.40515 5.15873
91 1OVD ORO 0.03085 0.40515 5.15873
92 1X7D ORN 0.01868 0.40463 5.15873
93 1KY8 NAP 0.04824 0.40126 5.15873
94 4YNU FAD 0.03856 0.40082 5.15873
95 4YNU LGC 0.04292 0.40082 5.15873
96 1Q9I TEO 0.007835 0.46105 5.55556
97 1Q9I FAD 0.007835 0.46105 5.55556
98 2DVZ GLU 0.00315 0.42884 5.55556
99 4AZW SAM 0.02574 0.4006 5.55556
100 3MN9 ATP 0.01998 0.40489 5.61497
101 1OFD AKG 0.0238 0.42246 5.95238
102 1OFD FMN 0.02571 0.42246 5.95238
103 3GD4 FAD 0.04764 0.41482 5.95238
104 4I4Z 2NE 0.03143 0.40775 5.95238
105 1GUA GNP 0.0221 0.41977 5.98802
106 2JK0 ASP 0.002421 0.43159 6.34921
107 2Q6B HR2 0.04012 0.43098 6.34921
108 2WLT ASP 0.002369 0.42696 6.34921
109 4O4K 2PK 0.04759 0.41281 6.34921
110 3DJF BC3 0.02679 0.40063 6.34921
111 4ZGR NGA GAL 0.001434 0.40317 6.47773
112 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.000001143 0.6267 6.50407
113 2GUC MAN 0.00000001894 0.64532 6.55738
114 2GUD MAN 0.00000002506 0.63702 6.55738
115 2NU5 NAG 0.00000002327 0.63562 6.55738
116 2HYR BGC GLC 0.0000000325 0.62496 6.55738
117 2NUO BGC 0.000000153 0.59032 6.55738
118 2GUD BMA 0.0000002146 0.5793 6.55738
119 2HYQ MAN MAN 0.000001059 0.57825 6.55738
120 2GUE NAG 0.0000007911 0.51867 6.55738
121 3LZW FAD 0.01685 0.41409 6.62651
122 4MO2 FDA 0.01568 0.42873 6.74603
123 2XVE FAD 0.02181 0.42416 6.74603
124 4MO2 FAD 0.017 0.4173 6.74603
125 3QT6 2P0 0.01204 0.41422 6.74603
126 4JIQ 1L5 0.01225 0.41149 6.74603
127 4JIQ FMN 0.01225 0.41149 6.74603
128 2ZXI FAD 0.03522 0.41046 6.74603
129 2PXX SAH 0.01339 0.40996 6.74603
130 3K87 FAD 0.01701 0.43134 7.02703
131 3VY6 BGC BGC 0.0000001531 0.58829 7.0922
132 1D4D FAD 0.005306 0.4622 7.14286
133 1TZJ A3B 0.003548 0.44174 7.14286
134 16PK BIS 0.02716 0.43302 7.14286
135 1KPH SAH 0.01239 0.42443 7.14286
136 1KPG SAH 0.01397 0.42054 7.14286
137 1GXS DKA 0.007737 0.40241 7.14286
138 2Q89 6CS 0.01545 0.40975 7.393
139 4PKG ATP 0.01477 0.41657 7.52688
140 3GDN HBX 0.02933 0.42089 7.53968
141 3GDN FAD 0.02347 0.42089 7.53968
142 5BSR AMP 0.0461 0.4195 7.53968
143 2NXE SAM 0.01561 0.40214 7.53968
144 2Q7V FAD 0.004073 0.45442 7.93651
145 4C3Y FAD 0.01531 0.42969 7.93651
146 4C3Y ANB 0.02554 0.4227 7.93651
147 3F8D FAD 0.0152 0.41525 7.93651
148 2V6O FAD 0.02533 0.44965 8.33333
149 2CNE DFJ 0.01679 0.41582 8.33333
150 1NVM NAD 0.02771 0.40973 8.33333
151 5IFS ADP 0.02738 0.40168 8.33333
152 4RYD 2UE ARG TBG ARG 00S 0.03326 0.40025 8.33333
153 4KCT PYR 0.01712 0.40618 8.73016
154 1RQ2 CIT 0.04457 0.40043 9.12698
155 2FF3 ATP 0.01831 0.40899 9.33333
156 1T44 ATP 0.01615 0.41442 9.52381
157 2GVC FAD 0.01312 0.40929 9.52381
158 4RPL 3UC 0.02003 0.4262 9.92064
159 4RPL FAD 0.02915 0.41662 9.92064
160 3RJ5 NAD 0.04687 0.40858 9.92064
161 1NV8 SAM 0.01164 0.42735 10.7143
162 1NV8 MEQ 0.01108 0.42735 10.7143
163 1ZMD FAD 0.04489 0.40944 10.7143
164 5EYP GTP 0.00385 0.45316 11.1111
165 4LNU GTP 0.00631 0.4371 11.1111
166 3RYC GTP 0.02732 0.42911 11.1111
167 2HQM FAD 0.002368 0.46873 11.5079
168 2VVL FAD 0.01933 0.42398 11.5079
169 2VVM FAD 0.03225 0.41422 11.5079
170 2D7I NGA 0.01496 0.4027 11.5079
171 4PL8 ATP 0.01706 0.41295 12.3288
172 1I0S FMN 0.01341 0.42057 13.0178
173 1I0S NAP 0.0176 0.42057 13.0178
174 3R51 MMA 0.0004223 0.44791 13.75
175 3L9R L9Q 0.03654 0.40939 15.3061
176 3QFA FAD 0.03994 0.41557 15.873
177 3SJH LAR 0.03093 0.40722 16.6667
178 3SJH ATP 0.02143 0.40722 16.6667
179 4J56 FAD 0.02842 0.40187 18.4211
180 2DUR MAN MAN 0.0000893 0.49268 19.8413
181 4ZNO SUC 0.000001955 0.57426 21.0317
182 2A40 ATP 0.01922 0.40182 25
183 5G5G MCN 0.009712 0.43536 26.5873
184 5ITZ GDP 0.004925 0.41878 27.907
185 3M1I GTP 0.02884 0.40891 28.3105
Pocket No.: 2; Query (leader) PDB : 2GN3; Ligand: MMA; Similar sites found: 201
This union binding pocket(no: 2) in the query (biounit: 2gn3.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2RH4 EMO 0.04236 0.41757 None
2 3TA2 AKG 0.02071 0.4007 None
3 2J9C ATP 0.042 0.40037 None
4 1OBB NAD 0.01362 0.40263 1.19048
5 3G89 SAM 0.01486 0.40363 1.20482
6 1AE1 NAP 0.02198 0.41669 1.5873
7 5U61 7WG 0.03604 0.41385 1.5873
8 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 0.03188 0.40454 1.79372
9 3OFK SAH 0.008441 0.40343 1.85185
10 4CNK FAD 0.0416 0.4019 1.98413
11 3OA2 NAD 0.03079 0.40122 1.98413
12 1KNM LAT 0.00163 0.41605 2.30769
13 5L4S 6KX 0.01116 0.44596 2.38095
14 5L4S NAP 0.01116 0.44596 2.38095
15 4HA6 FAD 0.02384 0.43934 2.38095
16 4I42 1HA 0.03675 0.4362 2.38095
17 2QV6 GTP 0.009031 0.43574 2.38095
18 4CTA ATP 0.008085 0.43436 2.38095
19 4UUW AMP 0.01192 0.42517 2.38095
20 2HIM ASN 0.0039 0.41255 2.38095
21 2PK3 GDD 0.04823 0.40963 2.38095
22 2HIM ASP 0.004133 0.40935 2.38095
23 2QV7 ADP 0.01223 0.40761 2.38095
24 1B57 PGH 0.01316 0.40464 2.38095
25 5E9W SAH 0.01347 0.40435 2.38095
26 2PT9 2MH 0.04296 0.40205 2.38095
27 2PT9 S4M 0.03049 0.40205 2.38095
28 3FC4 EDO 0.04357 0.40156 2.38095
29 2RCU BUJ 0.03379 0.40112 2.38095
30 2RGO FAD 0.0106 0.45311 2.77778
31 4OBW SAM 0.006578 0.43682 2.77778
32 2AE2 NAP 0.02405 0.42485 2.77778
33 2NVK FAD 0.04316 0.41275 2.77778
34 1V59 FAD 0.03379 0.41234 2.77778
35 2IU8 UD1 0.01953 0.41014 2.77778
36 2BO4 FLC 0.02237 0.40935 2.77778
37 3Q9T FAY 0.01791 0.40705 2.77778
38 4ZLU ADP 0.04135 0.4022 2.77778
39 4ZLU 4PW 0.04135 0.4022 2.77778
40 2V7B BEZ 0.01521 0.40012 2.77778
41 2B1N LYS ALA SER VAL GLY 0.02822 0.40283 2.84553
42 5THQ NDP 0.02037 0.41338 2.94118
43 4USQ FAD 0.006404 0.47102 3.1746
44 2Z6J FMN 0.005905 0.4493 3.1746
45 4Q4K FMN 0.005712 0.44915 3.1746
46 1FL2 FAD 0.002827 0.44342 3.1746
47 2UYT ADP 0.01304 0.43527 3.1746
48 1I9G SAM 0.002529 0.43068 3.1746
49 2Z6I FMN 0.004896 0.42448 3.1746
50 5A1S FLC 0.002686 0.42248 3.1746
51 2WET FAD 0.04502 0.4173 3.1746
52 2V58 LZJ 0.04834 0.41435 3.1746
53 2ZC0 PMP 0.006449 0.41349 3.1746
54 3NKS FAD 0.02141 0.4112 3.1746
55 3A7R LAQ 0.04342 0.40987 3.1746
56 4CQM NAP 0.04562 0.40483 3.1746
57 3H0L ADP 0.02575 0.4008 3.1746
58 5TQZ GLC 0.000000557 0.62404 3.33333
59 1WPY BTN 0.003457 0.44331 3.40426
60 2DXU BT5 0.007103 0.42782 3.40426
61 1O97 AMP 0.02505 0.44307 3.57143
62 1O94 ADP 0.01362 0.42569 3.57143
63 1DJN ADP 0.01604 0.42078 3.57143
64 2IVD FAD 0.02613 0.41827 3.57143
65 1UP7 NAD 0.0108 0.41818 3.57143
66 2WC1 FMN 0.01291 0.40807 3.84615
67 5LW0 AR6 0.04711 0.40287 3.8961
68 1WMA AB3 0.01046 0.44842 3.96825
69 1UZN NAP 0.01663 0.40338 3.96825
70 2Q4W FAD 0.04897 0.40291 3.96825
71 1WQ1 AF3 0.0105 0.41143 4.21687
72 2GCG NDP 0.005292 0.46079 4.36508
73 3O26 NDP 0.008134 0.43932 4.36508
74 2CUN 3PG 0.0009489 0.4369 4.36508
75 3GF4 FAD 0.04891 0.41287 4.36508
76 2A3Z ATP 0.01648 0.40791 4.36508
77 2A42 ATP 0.01673 0.40727 4.36508
78 3LDQ 3P1 0.01742 0.40332 4.38596
79 3LLZ GAL NGA 0.007174 0.41302 4.51128
80 4A3U FMN 0.003882 0.44198 4.7619
81 4B9Q ATP 0.006766 0.42633 4.7619
82 4JNE ATP 0.009639 0.42297 4.7619
83 4DQ2 BTX 0.007103 0.42285 4.7619
84 1LVL FAD 0.01131 0.41886 4.7619
85 1VFS DCS 0.01353 0.41594 4.7619
86 4PIO SAH 0.01374 0.41593 4.7619
87 1NNS ASP 0.00537 0.41558 4.7619
88 1TPY SAH 0.01695 0.40258 4.7619
89 3QVP FAD 0.02757 0.40236 4.7619
90 3DDC GNP 0.03757 0.43151 4.81928
91 1QO8 FAD 0.009071 0.45106 5.15873
92 1LYX PGA 0.003396 0.43706 5.15873
93 1X7D NAD 0.005925 0.43333 5.15873
94 1X7D ORN 0.01083 0.4241 5.15873
95 3H4T UDP 0.004502 0.42359 5.15873
96 2RAB FAD 0.009709 0.42346 5.15873
97 2RAB NAD 0.01572 0.42346 5.15873
98 1L1E SAH 0.01238 0.42129 5.15873
99 1OVD ORO 0.02333 0.41756 5.15873
100 1OVD FMN 0.02333 0.41756 5.15873
101 5JCA FAD 0.04525 0.4126 5.15873
102 3BF1 ADP 0.02126 0.40887 5.15873
103 3CB2 GDP 0.004793 0.40813 5.15873
104 3MAX LLX 0.0211 0.40295 5.15873
105 3U9Z ADP 0.01379 0.40697 5.17241
106 1Q9I TEO 0.00974 0.45322 5.55556
107 1Q9I FAD 0.00974 0.45322 5.55556
108 2DVZ GLU 0.002309 0.4374 5.55556
109 1Y8Q ATP 0.02809 0.41064 5.55556
110 1IIM TTP 0.02963 0.40334 5.55556
111 4AZW SAM 0.02413 0.40333 5.55556
112 4USR FAD 0.04934 0.40295 5.55556
113 1OFD FMN 0.006594 0.44206 5.95238
114 2V7Y ADP 0.008207 0.41953 5.95238
115 2D24 XYS XYS 0.0017 0.41094 5.95238
116 4I4Z 2NE 0.02897 0.40886 5.95238
117 1OFD AKG 0.0348 0.40632 5.95238
118 4PKI ATP 0.01954 0.40294 5.95238
119 4HDO GNP 0.02836 0.4134 5.98802
120 1GUA GNP 0.01972 0.40142 5.98802
121 2WLT ASP 0.001742 0.43533 6.34921
122 2JK0 ASP 0.002381 0.43137 6.34921
123 4O4K 2PK 0.04374 0.4162 6.34921
124 1RLJ FMN 0.005935 0.41066 6.47482
125 4ZGR NGA GAL 0.0008373 0.41273 6.47773
126 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.000002199 0.60557 6.50407
127 2GUC MAN 0.0000000307 0.63311 6.55738
128 2GUD MAN 0.00000004182 0.6234 6.55738
129 2NU5 NAG 0.00000003856 0.62296 6.55738
130 2HYR BGC GLC 0.00000004824 0.61438 6.55738
131 2HYQ MAN MAN 0.000001167 0.5763 6.55738
132 2NUO BGC 0.0000002816 0.57373 6.55738
133 2GUD BMA 0.0000003217 0.56901 6.55738
134 2GUE NAG 0.000001996 0.49704 6.55738
135 1N5D NDP 0.007509 0.45352 6.74603
136 4JIQ FMN 0.006897 0.43083 6.74603
137 4JIQ 1L5 0.006897 0.43083 6.74603
138 3QT6 2P0 0.009372 0.42257 6.74603
139 2PXX SAH 0.01042 0.41839 6.74603
140 4MO2 FDA 0.01552 0.41682 6.74603
141 4MO2 FAD 0.01724 0.4138 6.74603
142 2ZXI FAD 0.04055 0.40518 6.74603
143 2O4C NAD 0.04849 0.40396 6.74603
144 2XVE FAD 0.04071 0.40309 6.74603
145 3K87 FAD 0.01405 0.43146 7.02703
146 3VY6 BGC BGC 0.0000002769 0.57253 7.0922
147 1D4D FAD 0.006494 0.45566 7.14286
148 16PK BIS 0.03031 0.43077 7.14286
149 1KPH SAH 0.01444 0.41899 7.14286
150 1KPG SAH 0.01503 0.4174 7.14286
151 1GXS DKA 0.006588 0.40938 7.14286
152 2C91 NAP 0.01602 0.42964 7.53968
153 3GDN HBX 0.03028 0.41821 7.53968
154 3GDN FAD 0.02424 0.41821 7.53968
155 2NXE SAM 0.009702 0.41441 7.53968
156 2Q8Z NUP 0.03107 0.41423 7.53968
157 3LAD FAD 0.04534 0.4085 7.53968
158 2Q7V FAD 0.00669 0.44733 7.93651
159 4C3Y FAD 0.02164 0.41704 7.93651
160 4C3Y ANB 0.03665 0.40965 7.93651
161 3F8D FAD 0.04308 0.40932 7.93651
162 5BW4 SAM 0.01242 0.40301 7.93651
163 3T31 FAD 0.04297 0.42153 8.00915
164 3T31 DCQ 0.04494 0.42153 8.00915
165 3EGV SAH 0.01455 0.40627 8.16327
166 2YVJ FAD 0.04547 0.40679 8.25688
167 2CNE DFJ 0.01663 0.42127 8.33333
168 4TQG NDP 0.02994 0.41101 8.33333
169 3ATY FMN 0.01136 0.41082 8.73016
170 3HGM ATP 0.009321 0.42491 8.84354
171 1T44 ATP 0.02097 0.40435 9.52381
172 4RPL 3UC 0.02657 0.41528 9.92064
173 4RPL FAD 0.03451 0.41145 9.92064
174 1NV8 MEQ 0.01041 0.42888 10.7143
175 1NV8 SAM 0.01964 0.42398 10.7143
176 1ZMD FAD 0.04734 0.40798 10.7143
177 5EYP GTP 0.004843 0.45006 11.1111
178 4LNU GTP 0.007697 0.43436 11.1111
179 3RYC GTP 0.02671 0.4321 11.1111
180 1UAD GNP 0.047 0.40748 11.1111
181 5FJN FAD 0.04035 0.40645 11.1111
182 5FJN BE2 0.04393 0.40645 11.1111
183 2HQM FAD 0.0025 0.46597 11.5079
184 2VVL FAD 0.02916 0.42132 11.5079
185 2VVM FAD 0.03814 0.4157 11.5079
186 2D7I NGA 0.01412 0.40258 11.5079
187 2GAG FAD 0.03562 0.40897 12.3016
188 2G5C NAD 0.01912 0.40295 12.3016
189 2RHQ GAX 0.03113 0.40671 12.6984
190 1I0S FMN 0.008979 0.43342 13.0178
191 1I0S NAP 0.01188 0.43342 13.0178
192 3R51 MMA 0.0003075 0.45578 13.75
193 3L9R L9Q 0.0258 0.41576 15.3061
194 1BZL FAD 0.01577 0.45121 15.4762
195 3PDT ADP 0.01628 0.40604 16.2698
196 4J56 FAD 0.02482 0.4072 18.4211
197 2DUR MAN MAN 0.00007676 0.49785 19.8413
198 4ZNO SUC 0.000002893 0.56428 21.0317
199 2F5Z FAD 0.038 0.4042 25
200 5G5G MCN 0.00857 0.43746 26.5873
201 3DZ6 M8E 0.02208 0.41278 26.8657
Feedback