Receptor
PDB id Resolution Class Description Source Keywords
1HQL 2.2 Å NON-ENZYME: BINDING THE XENOGRAFT ANTIGEN IN COMPLEX WITH THE B4 ISOLECTIN OF GR SIMPLICIFOLIA LECTIN-1 GRIFFONIA SIMPLICIFOLIA GRIFFONIA SIMPLICIFOLIA LECTIN XENOGRAFT ANTIGEN SUGAR BIPROTEIN
Ref.: THE XENOGRAFT ANTIGEN BOUND TO GRIFFONIA SIMPLICIFO LECTIN 1-B(4). X-RAY CRYSTAL STRUCTURE OF THE COMPL MOLECULAR DYNAMICS CHARACTERIZATION OF THE BINDING J.BIOL.CHEM. V. 277 6615 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:302;
B:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GLA MBG A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
356.324 n/a O(C1O...
MN A:301;
B:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
NAG NAG A:501;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HQL 2.2 Å NON-ENZYME: BINDING THE XENOGRAFT ANTIGEN IN COMPLEX WITH THE B4 ISOLECTIN OF GR SIMPLICIFOLIA LECTIN-1 GRIFFONIA SIMPLICIFOLIA GRIFFONIA SIMPLICIFOLIA LECTIN XENOGRAFT ANTIGEN SUGAR BIPROTEIN
Ref.: THE XENOGRAFT ANTIGEN BOUND TO GRIFFONIA SIMPLICIFO LECTIN 1-B(4). X-RAY CRYSTAL STRUCTURE OF THE COMPL MOLECULAR DYNAMICS CHARACTERIZATION OF THE BINDING J.BIOL.CHEM. V. 277 6615 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1HQL - GLA MBG 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 1HQL - GLA MBG 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 1HQL - GLA MBG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLA MBG; Similar ligands found: 228
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA MBG 1 1
2 MMA MAN 0.653061 1
3 DR5 0.653061 1
4 GAL MBG 0.62 1
5 MDM 0.62 1
6 M13 0.62 1
7 MAN MAN BMA 0.603774 0.942857
8 TRE 0.595238 0.942857
9 MAN MAN 0.591837 0.942857
10 2M4 0.591837 0.942857
11 BGC BGC 0.591837 0.942857
12 AMG 0.581395 0.914286
13 GYP 0.581395 0.914286
14 MBG 0.581395 0.914286
15 MMA 0.581395 0.914286
16 BMA MAN MAN 0.571429 0.942857
17 LAT GLA 0.56 0.942857
18 MAL MAL 0.54902 0.916667
19 BGC BMA 0.54902 0.942857
20 B2G 0.54902 0.942857
21 GLC BGC 0.54902 0.942857
22 BMA GAL 0.54902 0.942857
23 CBK 0.54902 0.942857
24 BGC GLC 0.54902 0.942857
25 LBT 0.54902 0.942857
26 GLA GLA 0.54902 0.942857
27 LAT 0.54902 0.942857
28 CBI 0.54902 0.942857
29 MAB 0.54902 0.942857
30 GAL GLC 0.54902 0.942857
31 GLC GAL 0.54902 0.942857
32 BGC GAL 0.54902 0.942857
33 BMA BMA 0.54902 0.942857
34 GLA GAL 0.54902 0.942857
35 N9S 0.54902 0.942857
36 MAL 0.54902 0.942857
37 GAL BGC 0.54902 0.942857
38 GAL FUC 0.537037 0.942857
39 BMA BMA MAN 0.537037 0.916667
40 GAL MGC 0.534483 0.744681
41 GLA EGA 0.527273 0.944444
42 MAN MAN MAN GLC 0.52459 0.942857
43 M3M 0.519231 0.942857
44 MAN GLC 0.519231 0.942857
45 LB2 0.519231 0.942857
46 BMA BMA BMA BMA BMA BMA 0.509091 0.942857
47 GLC GLC GLC GLC GLC GLC GLC GLC 0.509091 0.942857
48 GLC BGC BGC 0.509091 0.942857
49 MAN BMA BMA BMA BMA 0.509091 0.942857
50 BGC BGC BGC BGC BGC BGC 0.509091 0.942857
51 GLC GAL GAL 0.509091 0.942857
52 CE6 0.509091 0.942857
53 MAN MAN BMA BMA BMA BMA 0.509091 0.942857
54 GLA GAL GLC 0.509091 0.942857
55 BGC GLC GLC GLC GLC 0.509091 0.942857
56 BGC GLC GLC 0.509091 0.942857
57 CEY 0.509091 0.942857
58 MT7 0.509091 0.942857
59 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.509091 0.942857
60 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.509091 0.942857
61 CTR 0.509091 0.942857
62 MTT 0.509091 0.942857
63 BMA BMA BMA 0.509091 0.942857
64 CTT 0.509091 0.942857
65 GLC GLC GLC GLC GLC 0.509091 0.942857
66 DXI 0.509091 0.942857
67 GLC BGC BGC BGC BGC 0.509091 0.942857
68 GLC BGC BGC BGC BGC BGC 0.509091 0.942857
69 BGC GLC GLC GLC GLC GLC GLC 0.509091 0.942857
70 MLR 0.509091 0.942857
71 GAL GAL GAL 0.509091 0.942857
72 BMA MAN BMA 0.509091 0.942857
73 CE5 0.509091 0.942857
74 CEX 0.509091 0.942857
75 BGC GLC GLC GLC 0.509091 0.942857
76 GLC GLC BGC GLC GLC GLC GLC 0.509091 0.942857
77 BGC BGC BGC GLC 0.509091 0.942857
78 GLC GLC BGC 0.509091 0.942857
79 CE8 0.509091 0.942857
80 GLC BGC GLC 0.509091 0.942857
81 CT3 0.509091 0.942857
82 BMA BMA BMA BMA BMA 0.509091 0.942857
83 MAN BMA BMA 0.509091 0.942857
84 GLC GLC GLC GLC GLC GLC GLC 0.509091 0.942857
85 B4G 0.509091 0.942857
86 MAN MMA MAN 0.508197 1
87 GLA MMA ABE 0.507692 0.921053
88 NAG BMA MAN MAN MAN MAN MAN 0.507042 0.921053
89 RZM 0.5 0.659574
90 BMA FRU 0.5 0.8
91 FRU GAL 0.5 0.8
92 OPM MAN MAN 0.492537 0.809524
93 MAL EDO 0.491228 0.891892
94 BMA MAN 0.490909 0.864865
95 DOM 0.490909 0.891892
96 GTM BGC BGC 0.484848 0.921053
97 GLA GAL BGC 5VQ 0.483333 0.894737
98 U63 0.482143 0.846154
99 MAN MAN MAN BMA MAN 0.478261 0.942857
100 BMA BMA BMA BMA BMA BMA MAN 0.474576 0.916667
101 MVP 0.474576 0.702128
102 MAN BMA BMA BMA BMA BMA 0.474576 0.916667
103 BGC BGC GLC 0.474576 0.942857
104 NOY BGC 0.473684 0.717391
105 BGC BGC BGC ASO BGC BGC ASO 0.473684 0.942857
106 5QP 0.473684 0.837838
107 GLC BGC BGC BGC 0.473684 0.942857
108 MAN MAN MAN BMA MAN MAN MAN 0.473684 1
109 BGC BGC BGC BGC BGC 0.473684 0.942857
110 BGC BGC BGC 0.473684 0.942857
111 MAN DGO 0.473684 0.864865
112 BGC BGC BGC GLC BGC BGC 0.473684 0.942857
113 GLC BGC BGC BGC BGC BGC BGC 0.473684 0.942857
114 FUC LAT 0.46875 0.971429
115 BGC GAL FUC 0.46875 0.971429
116 FUC GAL GLC 0.46875 0.971429
117 LAT FUC 0.46875 0.971429
118 GLC GAL FUC 0.46875 0.971429
119 GLA GAL BGC 0.466667 0.942857
120 GLA GAL GAL 0.466667 0.942857
121 BGC OXZ 0.465517 0.64
122 MAN MNM 0.465517 0.717391
123 9MR 0.465517 0.711111
124 IFM BMA 0.465517 0.711111
125 IFM BGC 0.465517 0.711111
126 BMA IFM 0.465517 0.711111
127 MAN H1M MAN 0.462687 0.921053
128 GLA GAL GLC NBU 0.460317 0.85
129 NDG GAL 0.459016 0.73913
130 GAL A2G 0.459016 0.73913
131 GAL NGA 0.459016 0.73913
132 NLC 0.459016 0.73913
133 A2G GAL 0.459016 0.73913
134 8VZ 0.459016 0.68
135 GAL NDG 0.459016 0.73913
136 FMO 0.457627 0.825
137 GLC DMJ 0.457627 0.695652
138 NOJ GLC 0.457627 0.695652
139 BGC BGC SGC MGL 0.457143 0.921053
140 MGL SGC GLC GLC 0.457143 0.921053
141 WZ3 0.455882 0.972222
142 ABL 0.45 0.673469
143 CGC 0.45 0.888889
144 AXR BXY BXY BXX 0.449275 0.842105
145 MAG FUC GAL 0.449275 0.729167
146 MAN MMA 0.446429 1
147 T6P 0.446429 0.733333
148 LMU 0.446154 0.790698
149 UMQ 0.446154 0.790698
150 GLC GLC XYP 0.446154 0.942857
151 DMU 0.446154 0.790698
152 LMT 0.446154 0.790698
153 GLA GAL FUC 0.444444 0.971429
154 GLA GLA FUC 0.444444 0.971429
155 FUC GLA GLA 0.444444 0.971429
156 FUC GAL GLA 0.444444 0.971429
157 FUC GAL MAG FUC 0.444444 0.729167
158 GAL GAL FUC 0.444444 0.971429
159 GAL BGC BGC XYS 0.442857 0.891892
160 M6P MAN MAN 0.441176 0.75
161 MAN 7D1 0.438596 0.842105
162 FUC BGC GAL 0.4375 0.971429
163 G2F BGC BGC BGC BGC BGC 0.4375 0.825
164 NAG BMA 0.4375 0.66
165 BGC BGC BGC BGC BGC BGC BGC BGC 0.4375 0.942857
166 BGC BGC BGC BGC 0.4375 0.942857
167 NPJ 0.434783 0.6
168 FUC BHG 0.432836 0.772727
169 BHG FUC 0.432836 0.772727
170 4YA 0.432836 0.772727
171 GAL NAG MAN 0.428571 0.73913
172 MAN NAG GAL 0.428571 0.73913
173 LSE 0.426471 0.729167
174 G3I 0.424242 0.733333
175 GAL NGT 0.424242 0.666667
176 GLC GLC GLC GLC GLC GLC 0.424242 0.942857
177 OXZ BGC BGC 0.424242 0.66
178 GAL NOK 0.424242 0.6
179 NOK GAL 0.424242 0.6
180 G2I 0.424242 0.733333
181 NGT GAL 0.424242 0.666667
182 TUR 0.423729 0.8
183 BTU 0.423729 0.8
184 RCB 0.422535 0.6
185 GAL GAL SO4 0.421875 0.673469
186 XYS GAL FUC 0.42029 0.944444
187 BHE 0.42029 0.772727
188 10M 0.42029 0.73913
189 SOR GLC GLC 0.41791 0.916667
190 NAG GAL FUC 0.416667 0.723404
191 VAM 0.416667 0.921053
192 ISX 0.416667 0.727273
193 DR3 0.416667 0.723404
194 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.414634 0.829268
195 4RS 0.412698 0.829268
196 XGP 0.411765 0.666667
197 GLC GLC XYS 0.411765 0.916667
198 GL1 0.411765 0.666667
199 G1P 0.411765 0.666667
200 GAL NGA A2G 0.411765 0.68
201 M1P 0.411765 0.666667
202 MAG 0.410714 0.680851
203 56N 0.410714 0.789474
204 2F8 0.410714 0.680851
205 MAN IFM 0.409836 0.727273
206 GLC IFM 0.409836 0.727273
207 MBG A2G 0.409091 0.744681
208 A2G MBG 0.409091 0.744681
209 FUC GAL 0.40678 0.942857
210 SOR GLC GLC GLC 0.405797 0.916667
211 BMA BMA GLA BMA BMA 0.405797 0.942857
212 6UZ 0.405797 0.804878
213 GAL BGC NAG GAL 0.405405 0.73913
214 AXR BXY BXY BXY BXX BXX 0.405063 0.8
215 GAT 0.403509 0.666667
216 KHO 0.403509 0.842105
217 GLC 7LQ 0.403226 0.837838
218 NDG GAL FUC 0.402778 0.723404
219 DR2 0.402778 0.723404
220 FUL GAL NAG 0.402778 0.723404
221 NAG MAN MMA 0.402778 0.744681
222 FUC GAL NAG 0.402778 0.723404
223 FUC GAL NDG 0.402778 0.723404
224 GLA MAN ABE 0.4 0.918919
225 MAN BMA NAG 0.4 0.73913
226 DEG 0.4 0.775
227 GLA GAL NAG 0.4 0.73913
228 NAG GAL GAL 0.4 0.73913
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HQL; Ligand: GLA MBG; Similar sites found: 415
This union binding pocket(no: 1) in the query (biounit: 1hql.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HQJ COA 0.002376 0.44629 None
2 3TA2 AKG 0.009553 0.43244 None
3 3TA2 ATP 0.02483 0.41497 None
4 3ZLM ANP 0.01506 0.40927 None
5 1UO4 PIH 0.01389 0.40675 None
6 1Y7P RIP 0.007902 0.40313 None
7 2WCV FUC 0.0004509 0.40213 None
8 1T57 FMN 0.00115 0.46675 0.970874
9 2PWY SAH 0.0002729 0.49796 1.16732
10 2OI2 DP6 0.0005875 0.46444 1.16732
11 4C1K PEP 0.003077 0.42403 1.16732
12 1H9G COA MYR 0.01271 0.42379 1.23457
13 2X2T GAL NGA 0.0003567 0.47265 1.30719
14 1SBZ FMN 0.00973 0.4358 1.52284
15 3AHC TPP 0.004941 0.44759 1.55642
16 3O03 NAP 0.008739 0.43158 1.55642
17 4L3L 5FI 0.01176 0.43009 1.55642
18 2A9G ARG 0.007681 0.42142 1.55642
19 1JBW ACQ 0.03576 0.40414 1.55642
20 3S9K CIT 0.001004 0.48931 1.69492
21 1U7Z PMT 0.003348 0.45964 1.76991
22 3Q9T FAY 0.0005678 0.50362 1.94553
23 2J0W ASP 0.0001671 0.46738 1.94553
24 1O9U ADZ 0.0007986 0.45649 1.94553
25 2J0W ADP 0.001379 0.45501 1.94553
26 1PDZ PGA 0.0006303 0.43457 1.94553
27 1H16 PYR 0.001755 0.43203 1.94553
28 1T3D CYS 0.00123 0.43071 1.94553
29 3H8V ATP 0.005471 0.42983 1.94553
30 1YBH P22 0.00004668 0.42452 1.94553
31 1DXY COI 0.004235 0.42301 1.94553
32 4LSJ LSJ 0.01271 0.4162 1.94553
33 4PVR ASP 0.01434 0.41501 1.94553
34 3ZY6 GFB 0.01519 0.41257 1.94553
35 1A5Z OXM 0.004917 0.41225 1.94553
36 2P69 PLP 0.001197 0.40618 1.94553
37 3DCM SAM 0.0003463 0.487 2.08333
38 3UCJ AZM 0.0007389 0.45426 2.20264
39 2Q37 3AL 0.0002761 0.43037 2.20994
40 3ACC 5GP 0.003053 0.42708 2.20994
41 2YCJ C2F 0.01376 0.40517 2.21402
42 2D37 FMN 0.002839 0.45492 2.27273
43 2D37 NAD 0.003049 0.45492 2.27273
44 2XVE FAD 0.002533 0.48978 2.33463
45 1IYE PGU 0.0008619 0.48567 2.33463
46 3U4C NDP 0.0009262 0.48124 2.33463
47 3TO7 COA 0.00207 0.47576 2.33463
48 4R33 SAH 0.002435 0.4664 2.33463
49 4R33 TRP 0.002435 0.4664 2.33463
50 1ZUW DGL 0.0006182 0.45767 2.33463
51 2BGM NAJ 0.01542 0.44617 2.33463
52 1TDF NAP 0.02753 0.44162 2.33463
53 1TDF FAD 0.01648 0.44162 2.33463
54 2GDZ NAD 0.006936 0.44047 2.33463
55 1UXG FUM 0.01165 0.43847 2.33463
56 1UXG NAD 0.01165 0.43847 2.33463
57 4O1M NAD 0.008098 0.43721 2.33463
58 3A8U PLP 0.007125 0.43286 2.33463
59 3Q3C NAD 0.02512 0.43239 2.33463
60 2AEB ABH 0.01317 0.43109 2.33463
61 2PTZ PAH 0.006913 0.42089 2.33463
62 4WBD CIT 0.003167 0.4207 2.33463
63 1X7D ORN 0.02872 0.41976 2.33463
64 1PJS NAD 0.01386 0.4178 2.33463
65 4B9E FAH 0.002735 0.41603 2.33463
66 2BLE 5GP 0.02063 0.41522 2.33463
67 4DXJ IPE 0.006331 0.4131 2.33463
68 2WE5 ADP 0.01136 0.40894 2.33463
69 4DXJ 0M9 0.009953 0.40693 2.33463
70 3SUC ATP 0.01597 0.40527 2.33463
71 1X7D NAD 0.03092 0.40081 2.33463
72 2XBN PMP 0.03946 0.40066 2.33463
73 2QGI UDP 0.003748 0.41719 2.41935
74 1LYX PGA 0.00006935 0.40816 2.41935
75 1UZN NAP 0.004631 0.42882 2.42915
76 4IS0 1R4 0.01839 0.41028 2.48963
77 3JQM GTP 0.001637 0.43903 2.54777
78 4P3H 25G 0.01711 0.43554 2.59067
79 3BL6 FMC 0.007309 0.42379 2.6087
80 1BGQ RDC 0.006558 0.43755 2.66667
81 3GD8 GOL 0.02333 0.40835 2.69058
82 2YBQ UP2 0.002193 0.47225 2.72374
83 1SOW NAD 0.002026 0.469 2.72374
84 4N02 FNR 0.006031 0.46434 2.72374
85 1ZGA SAH 0.0008599 0.45962 2.72374
86 2YBQ SAH 0.001377 0.45926 2.72374
87 1T26 NAI 0.02688 0.44933 2.72374
88 1T26 GBD 0.02688 0.44933 2.72374
89 2NLI FMN 0.01266 0.44625 2.72374
90 2NLI LAC 0.01266 0.44625 2.72374
91 1RYD GLC 0.0002563 0.44601 2.72374
92 4NTD FAD 0.008245 0.44594 2.72374
93 1GSA GSH 0.01061 0.44338 2.72374
94 1Q3Q ANP 0.01786 0.44285 2.72374
95 1OMZ UD2 0.0127 0.44124 2.72374
96 2OZE AGS 0.003312 0.43964 2.72374
97 2XK9 XK9 0.009758 0.43805 2.72374
98 1ZFJ IMP 0.04869 0.43591 2.72374
99 2ZWS PLM 0.006747 0.43148 2.72374
100 3IB8 AMP 0.005113 0.42465 2.72374
101 1GSA ADP 0.03547 0.42171 2.72374
102 4W6Z ETF 0.003648 0.41799 2.72374
103 4DCM SAM 0.01285 0.41373 2.72374
104 1ZGA HMK 0.009825 0.40956 2.72374
105 4W6Z 8ID 0.03205 0.40822 2.72374
106 4RJK PYR 0.007918 0.40309 2.72374
107 1WTC ACP 0.005585 0.40289 2.72374
108 4INB 1F6 0.005554 0.43119 2.73973
109 2W3L DRO 0.009165 0.40748 2.77778
110 1U9Q 186 0.006349 0.42594 2.7907
111 3MBG FAD 0.01473 0.41932 2.8777
112 1UWZ THU 0.01736 0.40263 2.94118
113 3CBG 4FE 0.001189 0.45858 3.01724
114 3CBG FER 0.003092 0.42933 3.01724
115 1OGD RIP 0.0007023 0.40992 3.05344
116 1UJ5 5RP 0.0001192 0.49548 3.0837
117 4A3X LAT 0.0001933 0.44417 3.0837
118 1NU4 MLA 0.0004939 0.48949 3.09278
119 1XHL NDP 0.00009007 0.53474 3.11284
120 1VJT NAD 0.0001054 0.51091 3.11284
121 1FIQ MTE 0.0005396 0.49404 3.11284
122 1FIQ SAL 0.0006193 0.49404 3.11284
123 1FIQ FAD 0.002056 0.47124 3.11284
124 4LWA Q13 0.002811 0.47024 3.11284
125 1RY2 AMP 0.001881 0.46187 3.11284
126 2C31 ADP 0.0123 0.4588 3.11284
127 2C31 TZD 0.0126 0.4588 3.11284
128 2CSN CKI 0.002542 0.45566 3.11284
129 1V5F FAD 0.04171 0.45184 3.11284
130 1V5F TPP 0.04171 0.45184 3.11284
131 1GJW GLC 0.0004853 0.4478 3.11284
132 3L6R MLI 0.0007484 0.43984 3.11284
133 3MAG 3MA 0.003648 0.43498 3.11284
134 2EFJ SAH 0.0121 0.41178 3.11284
135 1NML CIT 0.0004513 0.40994 3.11284
136 3HZL 6PC 0.008403 0.40923 3.11284
137 4AQL TXC 0.01397 0.40892 3.11284
138 4JWX 1N4 0.000645 0.40488 3.11284
139 2NW9 FT6 0.007305 0.40463 3.11284
140 3VC3 C6P 0.02985 0.40428 3.11284
141 2EQA AMP 0.02912 0.40201 3.11284
142 1XX6 ADP 0.0002297 0.4007 3.14136
143 1A5V Y3 0.0005991 0.41794 3.16456
144 3U5S FAD 0.005573 0.43293 3.1746
145 3OZG SSI 0.007566 0.41911 3.2
146 4USI ATP 0.01424 0.42411 3.24675
147 1TIQ COA 0.009741 0.41806 3.33333
148 3I6B KDO 0.0005889 0.40624 3.33333
149 5FIT AP2 0.004639 0.42421 3.40136
150 2F7C CCU 0.001042 0.44125 3.43348
151 3HY3 10F 0.02122 0.40886 3.44828
152 4DQ2 BTX 0.0007234 0.48639 3.50195
153 2QQF A1R 0.0006139 0.48496 3.50195
154 3UH0 TSB 0.0006888 0.47905 3.50195
155 2DTX BMA 0.007272 0.44967 3.50195
156 1RP0 AHZ 0.009195 0.44556 3.50195
157 1X54 4AD 0.003933 0.44508 3.50195
158 3L24 GOA 0.001793 0.44026 3.50195
159 5T0A A3P 0.00264 0.43393 3.50195
160 1PEA ACM 0.001699 0.43265 3.50195
161 2I4O ATP 0.003449 0.42745 3.50195
162 4BT5 23B 0.004884 0.41807 3.50195
163 4AF0 IMP 0.01681 0.41404 3.50195
164 1Z42 HBA 0.02503 0.40707 3.50195
165 3A1I UNU 0.0001826 0.40583 3.50195
166 1QO0 BMD 0.00172 0.41305 3.57143
167 1VR0 3SL 0.01009 0.40414 3.64372
168 1APZ ASP 0.006217 0.41844 3.7037
169 2B82 ADN 0.002149 0.45221 3.79147
170 3SQG COM 0.0003955 0.48175 3.89105
171 2V7T SAH 0.01704 0.45835 3.89105
172 1NZY BCA 0.003007 0.45521 3.89105
173 1HEX NAD 0.003396 0.45267 3.89105
174 2HGS GSH 0.001441 0.4495 3.89105
175 3JDW ORN 0.001951 0.44591 3.89105
176 1RRC ADP 0.0141 0.41571 3.89105
177 2HGS ADP 0.01501 0.41443 3.89105
178 1WHT BZS 0.0007372 0.4276 3.92157
179 3KJI ADP 0.01346 0.40768 3.93701
180 1TRD PGH 0.002977 0.43286 4
181 2BZ1 TAU 0.01027 0.42214 4.08163
182 1PR9 NAP 0.004455 0.45358 4.09836
183 1V2G OCA 0.00474 0.42379 4.21053
184 3N5O GSH 0.00109 0.46188 4.25532
185 1HFA PIO 0.00003901 0.53098 4.28016
186 2Q97 ATP 0.000058 0.52745 4.28016
187 3CXO 1N5 0.0005123 0.49661 4.28016
188 3PNL ADP 0.001568 0.46046 4.28016
189 1C4U IH1 0.00139 0.45806 4.28016
190 4NES UDP 0.001308 0.45607 4.28016
191 2J7T 274 0.003782 0.45184 4.28016
192 4M5P MLA 0.003167 0.43796 4.28016
193 1PL6 572 0.01022 0.43592 4.28016
194 1PL6 NAD 0.005237 0.43592 4.28016
195 3BS8 PMP 0.004855 0.42332 4.28016
196 3C1O NAP 0.01216 0.42183 4.28016
197 4JLV ADP 0.008672 0.42115 4.28016
198 3MN5 ATP 0.01756 0.41442 4.28016
199 4PKI ATP 0.02262 0.40835 4.28016
200 3MPI FAD 0.0436 0.40615 4.28016
201 2A42 ATP 0.02364 0.40577 4.28016
202 1I36 NAP 0.03577 0.40514 4.28016
203 2A40 ATP 0.02756 0.40167 4.28016
204 3CL7 HYN 0.03218 0.40167 4.28016
205 3SJH ATP 0.02978 0.40122 4.28016
206 3CXO 3LR 0.04286 0.40076 4.28016
207 1B66 BIO 0.006041 0.43301 4.28571
208 1II5 GLU 0.0006994 0.44875 4.29185
209 1QH9 LAC 0.0006874 0.42772 4.31034
210 2H6B 3C4 0.01968 0.4133 4.4
211 3GM5 CIT 0.0001441 0.45469 4.40252
212 4DN8 BMA 0.002138 0.41005 4.48718
213 3S2Y FMN 0.008808 0.41609 4.52261
214 3PNA CMP 0.0001753 0.41441 4.54545
215 2BNE U5P 0.0007121 0.49313 4.56432
216 4HZX G39 0.00397 0.46277 4.66926
217 2HGZ PBF 0.002172 0.45728 4.66926
218 3IHB TRS 0.001825 0.45112 4.66926
219 1C7R PA5 0.002834 0.43125 4.66926
220 1VBH PEP 0.001784 0.43115 4.66926
221 3IHB GLU 0.0015 0.42707 4.66926
222 4ARF IP8 GLY PRO ALA 0.005216 0.42647 4.66926
223 1FDJ 13P 0.002591 0.42073 4.66926
224 1FDJ 2FP 0.007922 0.41377 4.66926
225 2C42 PYR 0.0439 0.40862 4.66926
226 4DL8 UMP AF3 PO4 0.02012 0.40517 4.66926
227 3CEV ARG 0.0003848 0.40303 4.66926
228 1KHT AMP 0.001271 0.44387 4.6875
229 1NVU GTP 0.009813 0.45495 4.81928
230 2Q3M MLA 0.00002484 0.52607 4.90798
231 1KOL NAD 0.00177 0.47685 5.05837
232 1V2X SAM 0.0006411 0.47463 5.05837
233 3VPD ANP 0.001144 0.46496 5.05837
234 4BI7 PGA 0.0005188 0.46103 5.05837
235 1NW5 SAM 0.001662 0.45548 5.05837
236 4I71 AGV 0.004272 0.43455 5.05837
237 2AMV BIN 0.02357 0.43237 5.05837
238 2J8Z NAP 0.01004 0.4314 5.05837
239 1B8U OAA 0.01257 0.43037 5.05837
240 1CL2 PPG 0.007249 0.42582 5.05837
241 3VPD BUA 0.00001659 0.42325 5.05837
242 4JNE ATP 0.01815 0.41415 5.05837
243 3BLI ACO 0.01586 0.4133 5.05837
244 4B9Q ATP 0.0152 0.41247 5.05837
245 1M1B SPV 0.001086 0.40841 5.05837
246 3WRB GDE 0.01739 0.40379 5.05837
247 1B8U NAD 0.02696 0.40085 5.05837
248 2YAK OSV 0.03718 0.40083 5.05837
249 1SS4 GSH 0.002262 0.46268 5.22876
250 1D09 PAL 0.0131 0.47062 5.44747
251 2YVF NAD 0.007018 0.46669 5.44747
252 2YVF FAD 0.006813 0.46669 5.44747
253 4IOK XPO 0.002636 0.45164 5.44747
254 1R37 NAD 0.006791 0.44579 5.44747
255 4IOK ADP 0.006201 0.43871 5.44747
256 3PY5 AMP 0.004107 0.43119 5.44747
257 3H22 B53 0.005323 0.41906 5.44747
258 1BXG HCI 0.009612 0.41674 5.44747
259 1C1D PHE 0.01044 0.41497 5.44747
260 1GPJ CIT 0.002311 0.40818 5.44747
261 2GVC FAD 0.03721 0.40702 5.44747
262 1A69 FMB 0.04574 0.42388 5.46218
263 3F81 STT 0.004742 0.42074 5.46448
264 4BAS GNP 0.009894 0.42128 5.52764
265 2YD6 FLC 0.000297 0.51234 5.66038
266 1C3V PDC 0.0005593 0.42126 5.71429
267 1JA9 NDP 0.004595 0.48021 5.83658
268 3DAG FEG 0.001464 0.46704 5.83658
269 1JA9 PYQ 0.002062 0.46452 5.83658
270 1OTH PAO 0.004569 0.45181 5.83658
271 2WQP WQP 0.004679 0.44455 5.83658
272 4GCS 1RG 0.004633 0.44091 5.83658
273 1SAY PYR 0.0124 0.43394 5.83658
274 1T8U A3P 0.004868 0.43384 5.83658
275 1T8U UAP SGN IDS SGN 0.01453 0.43368 5.83658
276 1FP1 SAH 0.004032 0.43156 5.83658
277 1OFH ADP 0.02123 0.41172 5.83658
278 2O66 FLC 0.0002014 0.43599 5.92593
279 1PTR PRB 0.00012 0.47346 6
280 2PNZ UDP 0.02556 0.40785 6.0241
281 3PAK MAN 0.001734 0.44937 6.08108
282 1JUV NDP 0.01275 0.42372 6.21762
283 4LNL PLG 0.0003872 0.47526 6.22568
284 2EB5 OXL 0.0002362 0.44766 6.22568
285 1XX4 BAM 0.002453 0.43398 6.22568
286 4LNL 2BK 0.004649 0.42874 6.22568
287 4LNL 2BO 0.004649 0.42874 6.22568
288 3P3N AKG 0.0009282 0.42368 6.22568
289 4GQB 0XU 0.03779 0.42316 6.22568
290 4P05 4NS 0.01003 0.42267 6.22568
291 1H2K OGA 0.001136 0.42167 6.22568
292 2XUM OGA 0.001151 0.42146 6.22568
293 1R0X ATP 0.02629 0.41574 6.22568
294 4CO3 ATP 0.02952 0.41009 6.25
295 2VOH CIT 0.02333 0.40326 6.36943
296 3VY6 BGC BGC 0.00003077 0.49179 6.38298
297 1TU3 GNP 0.01042 0.4265 6.43275
298 3GEG NAD 0.02227 0.41338 6.47773
299 1JGS SAL 0.01079 0.42103 6.52174
300 4JCA CIT 0.005033 0.42819 6.58683
301 2IMP NAI 0.001538 0.51027 6.61479
302 2ZJ3 G6P 0.0003044 0.48959 6.61479
303 4KCF AKM 0.001042 0.4706 6.61479
304 1V1A KDG 0.002372 0.44928 6.61479
305 2P1M IHP 0.004494 0.44389 6.61479
306 1V1A ADP 0.006195 0.44152 6.61479
307 4KCF FMN 0.004674 0.42863 6.61479
308 4I53 1C1 0.009617 0.42114 6.61479
309 2R00 OEG 0.002259 0.41954 6.61479
310 3DDN HPV 0.00331 0.41953 6.61479
311 2YIV YIV 0.009141 0.40033 6.61479
312 4E1N TQX 0.002606 0.45012 6.62651
313 2NT8 ATP 0.02537 0.41189 6.72646
314 3SVL FMN 0.01554 0.40678 6.73575
315 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0005704 0.48101 6.80851
316 4Q3F TLA 0.001518 0.40033 6.83761
317 2WOR 2AN 0.006847 0.40263 7
318 1KC7 PPR 0.0002416 0.46061 7.00389
319 4RNV HBA 0.008307 0.41929 7.00389
320 4RNV FMN 0.01541 0.40598 7.00389
321 1P9B HDA 0.001512 0.40297 7.00389
322 2FWP ICR 0.007475 0.44487 7.10383
323 2FWP CIT 0.01031 0.43336 7.10383
324 1XNK XS2 0.004473 0.42951 7.14286
325 1YAG ATP 0.006271 0.4339 7.2
326 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.0009817 0.46243 7.31707
327 2NU5 NAG 0.00001017 0.52235 7.37705
328 2HYR BGC GLC 0.00001143 0.51248 7.37705
329 2GUC MAN 0.00001298 0.51086 7.37705
330 2GUD MAN 0.00002121 0.4934 7.37705
331 2NUO BGC 0.00006272 0.47056 7.37705
332 2HYQ MAN MAN 0.0001196 0.46221 7.37705
333 2GUE NAG 0.000156 0.42079 7.37705
334 4USQ FAD 0.0001844 0.52251 7.393
335 1DSS NAD 0.002196 0.45867 7.393
336 2CKM AA7 0.01063 0.44334 7.393
337 1KBJ FMN 0.005056 0.44146 7.393
338 1PFK ADP 0.004346 0.43008 7.393
339 2OWZ CIT 0.0007014 0.42931 7.393
340 4HVK PMP 0.002933 0.42785 7.393
341 3TXO 07U 0.007576 0.41692 7.393
342 1PFK FBP 0.007182 0.41326 7.393
343 4M2K PLP 0.01244 0.40011 7.393
344 1H2M OGA 0.00112 0.42113 7.69231
345 1GVF PGH 0.0001854 0.47733 7.7821
346 2DKH FAD 0.001878 0.47191 7.7821
347 2DKH 3HB 0.004088 0.46214 7.7821
348 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.005179 0.45803 7.7821
349 3V1U HXC 0.001233 0.44733 7.7821
350 2X61 CH 0.008451 0.44641 7.7821
351 2X61 NGA GAL SIA 0.01547 0.4461 7.7821
352 4IVG ANP 0.01534 0.44197 7.7821
353 3V1U NAD 0.008954 0.42964 7.7821
354 4HXY NDP 0.01854 0.42635 7.7821
355 1QS0 TDP 0.009879 0.41957 7.7821
356 1E6E FAD 0.03676 0.4065 7.8125
357 2XBP ATP 0.005539 0.46169 7.9646
358 3HGM ATP 0.009967 0.42949 8.16327
359 2C7G FAD 0.0005069 0.52211 8.17121
360 2C7G ODP 0.0005478 0.51952 8.17121
361 2Q8H TF4 0.003039 0.42967 8.17121
362 3QV9 QV7 0.001025 0.40842 8.17121
363 1I2B USQ 0.01809 0.44119 8.56031
364 1I2B UPG 0.01809 0.44119 8.56031
365 1I2B NAD 0.01809 0.44119 8.56031
366 3FS8 ACO 0.037 0.43819 8.56031
367 2G36 TRP 0.002138 0.42775 8.56031
368 4UBP HAE 0.006657 0.42844 8.91089
369 1E7S NAP 0.0003144 0.50835 8.94942
370 2HW1 FRU 0.001686 0.40617 8.94942
371 1SC3 MLI 0.0008996 0.44484 9.09091
372 2OYS FMN 0.003392 0.44298 9.09091
373 2GAG NAD 0.02856 0.40875 9.09091
374 1L1Q 9DA 0.001952 0.45224 9.13978
375 4TSK NDP 0.01988 0.44043 9.14286
376 2XI7 XI7 0.004863 0.43876 9.23913
377 2PT9 2MH 0.002976 0.46336 9.33852
378 3IOI 1GW 0.003074 0.46019 9.33852
379 1I9G SAM 0.01727 0.43617 9.33852
380 2PT9 S4M 0.01871 0.40914 9.33852
381 1DL7 NCH 0.01882 0.40861 9.82143
382 1F7L COA 0.009834 0.43732 9.91736
383 2GJ3 FAD 0.02389 0.41497 10
384 2DUA OXL 0.01391 0.41266 10.1167
385 1B9I PXG 0.02036 0.40971 10.1167
386 4HPP GLU 0.009471 0.40534 10.1167
387 3FED BIX 0.002178 0.44593 10.5058
388 4BMO FMN 0.009379 0.42868 10.5058
389 4B16 NAG 0.006959 0.42135 10.5058
390 1R27 MGD 0.02539 0.4196 10.5058
391 1Y4Z PCI 0.002398 0.41845 10.5058
392 4TMK T5A 0.004856 0.45052 10.7981
393 1NME 159 0.001675 0.40488 10.8696
394 1GAD NAD 0.002239 0.45984 10.8949
395 4HZO COA 0.0003884 0.41179 10.8949
396 5YAS FAC 0.007193 0.41323 11.284
397 3H86 AP5 0.02943 0.42474 11.4583
398 1H8G CHT 0.005492 0.43606 11.5789
399 1NV8 MEQ 0.03258 0.4042 11.6732
400 4G1V FAD 0.002138 0.4623 12.0623
401 2Y4O DLL 0.00579 0.43373 12.0623
402 1UBY DMA 0.01132 0.41311 12.0623
403 2X0K PPV 0.00703 0.40686 12.0623
404 3ZTV ADN 0.001887 0.44421 12.8405
405 3UEC ALA ARG TPO LYS 0.0009946 0.43462 13.0137
406 1YOA FMN 0.00889 0.42535 13.2075
407 4GYW UDP 0.01588 0.42539 13.6187
408 1BTN I3P 0.0006864 0.48471 14.1509
409 4P9Z NMI PTR 02K ASN NH2 0.0008624 0.40429 16.2393
410 1P9P SAH 0.0008634 0.47259 17.1206
411 4HGP KDO 0.02365 0.42013 17.7778
412 2HMT NAI 0.02172 0.43268 19.4444
413 2IZ1 ATR 0.0005147 0.4311 19.4553
414 2NZU BG6 0.006986 0.40844 22.7273
415 4F8L GAL 0.004925 0.43848 26.2069
Pocket No.: 2; Query (leader) PDB : 1HQL; Ligand: GLA MBG; Similar sites found: 47
This union binding pocket(no: 2) in the query (biounit: 1hql.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01175 0.41914 None
2 3E4O SIN 0.001105 0.44016 1.94553
3 4HZD COA 0.03438 0.41203 1.94553
4 2FUE M1P 0.006153 0.40463 1.94553
5 2FPU HSO 0.004213 0.40808 2.27273
6 2BGM MAX 0.007944 0.43062 2.33463
7 3LXD FAD 0.02323 0.41843 2.33463
8 4C0C WVH 0.04727 0.41297 2.33463
9 3FPZ AHZ 0.02015 0.45055 2.72374
10 3VKX T3 0.004844 0.43487 2.72374
11 2QIA U20 0.04064 0.42184 2.72374
12 2BO4 FLC 0.005339 0.40372 2.72374
13 1EDO NAP 0.0146 0.45369 2.86885
14 1F74 NAY 0.0006879 0.46648 3.11284
15 1RZM E4P 0.002703 0.41624 3.11284
16 2Y4N DLL 0.0277 0.40541 3.89105
17 3TKA CTN 0.00007137 0.56169 4.28016
18 4NES UD1 0.001882 0.45095 4.28016
19 4M5P 23W 0.002837 0.42282 4.28016
20 1YS4 NAP 0.03017 0.40009 4.28016
21 2IMG MLT 0.008056 0.40301 4.63576
22 3IL6 B83 0.01106 0.4173 4.66926
23 3OIG NAD 0.02178 0.43966 5.05837
24 3OIG IMJ 0.009278 0.43798 5.05837
25 3BLI PYR 0.002324 0.41902 5.05837
26 9LDT OXM 0.009265 0.41531 5.05837
27 1W55 C 0.04883 0.41451 5.44747
28 1R37 ETX 0.007754 0.40031 5.44747
29 4EXO PYR 0.00622 0.40774 5.47945
30 1QDS PGA 0.0001663 0.40777 5.57769
31 3VHZ L2P GLC MAN SGA 0.0005337 0.52837 5.83658
32 2XRH NIO 0.006378 0.40044 6
33 1NN5 2DT 0.03568 0.40584 6.04651
34 1NN5 ANP 0.03568 0.40584 6.04651
35 4TQG NDP 0.03912 0.40211 6.22568
36 1SSQ CYS 0.01194 0.44475 6.61479
37 2IMP LAC 0.01538 0.41062 6.61479
38 3I51 45C 0.000124 0.40443 6.61479
39 3GB5 FMN 0.01328 0.41359 8.56031
40 3B8I OXL 0.0003837 0.4106 8.94942
41 1WUR 8DG 0.01422 0.41554 10
42 3AD8 NAD 0.04198 0.40033 10.101
43 1YWQ FMN 0.01252 0.40911 11.5
44 1MHW BP4 CYS DAR TYR PEA 0.02576 0.40072 11.9048
45 4AKB GAL 0.0132 0.40012 12.782
46 2P4T NAP 0.04266 0.40315 14.5161
47 2V9M CIT 0.01422 0.40001 15.1751
Feedback