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Receptor
PDB id Resolution Class Description Source Keywords
3WV6 1.95 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A PROTEASE-RESISTANT MUTANT FORM OF HUM GALECTIN-9 HOMO SAPIENS BETA SANDWICH CARBOHYDRATE-BINDING OLIGOSACCHARIDE SUGAR PROTEIN
Ref.: X-RAY STRUCTURE OF A PROTEASE-RESISTANT MUTANT FORM GALECTIN-9 HAVING TWO CARBOHYDRATE RECOGNITION DOMA A METAL-BINDING SITE BIOCHEM.BIOPHYS.RES.COMMUN. V. 490 1287 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:408;
A:407;
B:406;
A:406;
A:409;
B:409;
A:410;
A:408;
B:410;
B:407;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ZN A:401;
B:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
GAL BGC B:402;
A:402;
Valid;
Valid;
none;
none;
submit data
342.297 n/a O(C1C...
GAL GLC B:404;
A:404;
Valid;
Valid;
none;
none;
submit data
342.297 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WV6 1.95 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A PROTEASE-RESISTANT MUTANT FORM OF HUM GALECTIN-9 HOMO SAPIENS BETA SANDWICH CARBOHYDRATE-BINDING OLIGOSACCHARIDE SUGAR PROTEIN
Ref.: X-RAY STRUCTURE OF A PROTEASE-RESISTANT MUTANT FORM GALECTIN-9 HAVING TWO CARBOHYDRATE RECOGNITION DOMA A METAL-BINDING SITE BIOCHEM.BIOPHYS.RES.COMMUN. V. 490 1287 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3WV6 - GAL BGC 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 3WV6 - GAL BGC n/a n/a
50% Homology Family (109)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5NF9 Kd = 4.7 uM 8VW C22 H32 N2 O12 CC(=O)N[C@....
2 5E8A Kd = 0.034 uM 5KS C28 H30 F2 N6 O8 S c1cc(ccc1c....
3 1A3K - GAL NAG n/a n/a
4 3T1M Kd = 0.91 mM DQT C23 H27 N O7 Cc1ccc(cc1....
5 4LBL Kd = 11 uM BGC SIA GAL n/a n/a
6 2NMN Kd = 260 uM GAL BGC n/a n/a
7 4R9B - LAT C12 H22 O11 C([C@@H]1[....
8 2NN8 Kd = 260 uM LAT C12 H22 O11 C([C@@H]1[....
9 4JC1 Kd = 50 uM TDG C12 H22 O10 S C([C@@H]1[....
10 4R9A - LAT C12 H22 O11 C([C@@H]1[....
11 5EXO - 5SY C19 H22 O9 CC(=O)O[C@....
12 5ODY Kd = 7.5 nM 9SK C30 H28 F5 N3 O11 S c1cc(c(c2c....
13 5E88 Kd = 0.065 uM 5KT C24 H28 N6 O8 S3 c1cscc1c2c....
14 4R9D - LAT C12 H22 O11 C([C@@H]1[....
15 1KJL Kd = 67 uM GAL NAG n/a n/a
16 3T1L Kd = 0.55 mM MQT C17 H22 O8 Cc1ccc(cc1....
17 2XG3 Kd = 18.2 uM UNU GAL NAG n/a n/a
18 4LBJ Kd = 0.39 uM GAL NAG GAL BGC n/a n/a
19 4R9C - LAT C12 H22 O11 C([C@@H]1[....
20 3ZSJ Kd = 231 uM LAT C12 H22 O11 C([C@@H]1[....
21 4LBM Kd = 0.97 uM BGC GAL NAG GAL n/a n/a
22 1KJR Kd = 0.88 uM BEK GAL NAG n/a n/a
23 6EOL Kd = 0.037 uM BKH C20 H16 Cl2 F3 N3 O4 S c1cc(c(cc1....
24 6G0V Kd = 166 uM EGZ C18 H25 N O13 S C1[C@H](NC....
25 3AYE - LAT C12 H22 O11 C([C@@H]1[....
26 6EOG Kd = 1.6 uM BKK C20 H17 Cl F3 N3 O4 S c1cc(cc(c1....
27 5E89 Kd = 0.014 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
28 4LBO Kd = 1.7 uM BGC GAL SIA n/a n/a
29 2NMO Kd = 260 uM GAL BGC n/a n/a
30 3AYC Kd = 57 uM GAL NGA GAL BGC SIA n/a n/a
31 4JCK Kd = 4.3 mM 1LL C12 H22 O10 S C([C@@H]1[....
32 5NFA Kd = 5.6 uM 8VQ C24 H36 N2 O12 CC(=O)N[C@....
33 4LBK Kd = 0.32 uM GAL NAG GAL BGC n/a n/a
34 5OAX Kd = 12 nM 9Q5 C30 H30 F3 N3 O11 S c1cc(cc(c1....
35 4RL7 - LAT C12 H22 O11 C([C@@H]1[....
36 3AYD Kd = 65 uM NPO A2G GAL n/a n/a
37 4LBN Kd = 0.65 uM GLC GAL NAG GAL n/a n/a
38 1G86 - NEQ C6 H7 N O2 CCN1C(=O)C....
39 1QKQ - MAN C6 H12 O6 C([C@@H]1[....
40 1HDK - PMB C6 H5 Hg O3 S c1cc(ccc1S....
41 2D6N - GAL NAG n/a n/a
42 2D6M - LBT C12 H22 O11 C([C@@H]1[....
43 2D6O - NAG GAL GAL NAG n/a n/a
44 4XBN Kd = 93 uM GAL NAG n/a n/a
45 5H9R Kd = 0.84 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
46 5H9P Kd = 0.068 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
47 5DG2 - GAL GLC n/a n/a
48 5EWS - GAL BGC n/a n/a
49 5NM1 - LBT C12 H22 O11 C([C@@H]1[....
50 5NLD - LBT C12 H22 O11 C([C@@H]1[....
51 5NMJ - LBT C12 H22 O11 C([C@@H]1[....
52 5NLH - LBT C12 H22 O11 C([C@@H]1[....
53 5NLE - LBT C12 H22 O11 C([C@@H]1[....
54 4XBL Kd = 340 uM GAL NAG n/a n/a
55 4Y24 Kd = 0.22 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
56 3T2T - MQT C17 H22 O8 Cc1ccc(cc1....
57 3OY8 Kd = 220 uM GAL GCO n/a n/a
58 2EAL - GAL NGA A2G n/a n/a
59 2ZHL Kd = 3 uM NAG GAL GAL NAG n/a n/a
60 2ZHK Kd = 3 uM NAG GAL GAL NAG n/a n/a
61 2ZHN - NAG GAL NAG GAL GAL NAG n/a n/a
62 2ZHM - NAG GAL GAL NAG GAL n/a n/a
63 2EAK - LBT C12 H22 O11 C([C@@H]1[....
64 3WLU - LSE C18 H36 O10 Se Si C[Si](C)(C....
65 5H9S Kd = 87 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
66 5H9Q Kd = 38 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
67 4XBQ Kd = 270 uM GAL NAG n/a n/a
68 6A62 - LAT C12 H22 O11 C([C@@H]1[....
69 6A64 - LAT C12 H22 O11 C([C@@H]1[....
70 6A63 - LAT C12 H22 O11 C([C@@H]1[....
71 5T7S Kd = 3.1 uM LBT C12 H22 O11 C([C@@H]1[....
72 4BMB Ka = 13000 M^-1 LAT C12 H22 O11 C([C@@H]1[....
73 5T7I Kd = 0.33 uM LAT NAG GAL n/a n/a
74 3VKO - SIA GAL NAG n/a n/a
75 4BME Ka = 13000 M^-1 LBT C12 H22 O11 C([C@@H]1[....
76 5T7T Kd = 2.1 uM GAL NAG n/a n/a
77 3I8T Kd = 600 uM LBT C12 H22 O11 C([C@@H]1[....
78 3WV6 - GAL BGC n/a n/a
79 3NV2 - GAL NDG n/a n/a
80 3NV4 - SIA GAL BGC n/a n/a
81 3NV3 - GAL NAG MAN n/a n/a
82 3WUD Kd = 41 uM GLC GAL n/a n/a
83 3GAL - 1GN C6 H13 N O5 C([C@@H]1[....
84 4UW6 - VV7 C69 H73 N20 O39 [H]1c2c(cc....
85 2GAL - GAL C6 H12 O6 C([C@@H]1[....
86 4GAL - GAL BGC n/a n/a
87 4UW3 - 50G C31 H50 N10 O18 c1c(nnn1[C....
88 4UW4 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
89 3ZXE Kd = 450 uM PGZ C22 H28 N O8 P S Cc1ccc(cc1....
90 5GAL - NAG GAL n/a n/a
91 4UW5 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
92 1A78 - TDG C12 H22 O10 S C([C@@H]1[....
93 5DUW Kd = 510 uM 5GO C12 H22 O14 S C([C@@H]1[....
94 5DUV Kd = 1300 uM LAT C12 H22 O11 C([C@@H]1[....
95 5DUX Kd = 380 uM LAT FUC n/a n/a
96 4WVV - LBT C12 H22 O11 C([C@@H]1[....
97 4WVW - SLT C23 H39 N O19 CC(=O)N[C@....
98 4YLZ Kd = 270 uM LAT NAG GAL n/a n/a
99 5CBL - LAT C12 H22 O11 C([C@@H]1[....
100 4YM0 Kd = 510 uM LAT NAG GAL n/a n/a
101 4YM2 Kd = 1400 uM SGA BGC n/a n/a
102 4YM3 Kd = 1900 uM LAT C12 H22 O11 C([C@@H]1[....
103 4YM1 Kd = 580 uM LAT FUC n/a n/a
104 1IS4 - LAT C12 H22 O11 C([C@@H]1[....
105 1WLD - GAL BGC n/a n/a
106 6FOF - LAT C12 H22 O11 C([C@@H]1[....
107 5NFB Kd = 0.77 uM 8VT C30 H40 N2 O13 CC(=O)N[C@....
108 5NF7 Kd = 37.5 uM 8VZ C16 H28 N2 O11 CC(=O)N[C@....
109 1SLA - NAG MAN GAL BMA NAG MAN NAG GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL BGC; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GLA 1 1
2 GAL BGC 1 1
3 GLC GAL 1 1
4 BMA GAL 1 1
5 LBT 1 1
6 BGC GAL 1 1
7 CBI 1 1
8 MAL 1 1
9 CBK 1 1
10 BGC BMA 1 1
11 N9S 1 1
12 MAB 1 1
13 LAT 1 1
14 GLA GAL 1 1
15 B2G 1 1
16 BMA BMA BMA 0.909091 1
17 GLA GAL GLC 0.909091 1
18 GLC BGC BGC 0.909091 1
19 GLC BGC BGC BGC 0.909091 1
20 GLC GLC GLC GLC GLC 0.909091 1
21 CT3 0.909091 1
22 BGC GLC GLC GLC 0.909091 1
23 BGC BGC BGC BGC 0.909091 1
24 CTT 0.909091 1
25 CTR 0.909091 1
26 GLC GAL GAL 0.909091 1
27 MAN BMA BMA BMA BMA BMA 0.909091 1
28 BGC BGC BGC GLC 0.909091 1
29 CEY 0.909091 1
30 B4G 0.909091 1
31 BGC BGC BGC 0.909091 1
32 GLC GLC BGC 0.909091 1
33 CE5 0.909091 1
34 BGC BGC BGC BGC BGC BGC 0.909091 1
35 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
36 BMA BMA BMA BMA BMA BMA 0.909091 1
37 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
38 GLA GAL BGC 0.909091 1
39 MLR 0.909091 1
40 MAN BMA BMA 0.909091 1
41 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
42 BMA BMA BMA BMA BMA 0.909091 1
43 BGC BGC GLC 0.909091 1
44 MAN MAN BMA BMA BMA BMA 0.909091 1
45 BGC GLC GLC 0.909091 1
46 BGC BGC BGC BGC BGC 0.909091 1
47 MT7 0.909091 1
48 GLC BGC BGC BGC BGC 0.909091 1
49 CE6 0.909091 1
50 MTT 0.909091 1
51 CE8 0.909091 1
52 MAN BMA BMA BMA BMA 0.909091 1
53 GLC BGC GLC 0.909091 1
54 DXI 0.909091 1
55 GLC BGC BGC BGC BGC BGC 0.909091 1
56 CEX 0.909091 1
57 GAL GAL GAL 0.909091 1
58 BMA MAN BMA 0.909091 1
59 BGC GLC GLC GLC GLC 0.909091 1
60 GLA GAL GAL 0.816327 1
61 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
62 BMA BMA GLA BMA BMA 0.689655 1
63 XYT 0.685185 0.767442
64 LAT GLA 0.680851 1
65 GLC GLC GLC BGC 0.672414 1
66 U63 0.647059 0.891892
67 MMA MAN 0.64 0.942857
68 DR5 0.64 0.942857
69 GLA EGA 0.634615 0.942857
70 GAL FUC 0.615385 0.941176
71 2M4 0.612245 1
72 BGC GAL FUC 0.610169 0.970588
73 FUC GAL GLC 0.610169 0.970588
74 8B7 0.610169 0.970588
75 GLC GAL FUC 0.610169 0.970588
76 LAT FUC 0.610169 0.970588
77 BGC GLA GAL FUC 0.609375 0.970588
78 BQZ 0.608696 0.909091
79 BGC GAL NAG GAL 0.606061 0.733333
80 GAL NAG GAL GLC 0.606061 0.733333
81 BMA BMA BMA BMA 0.603448 0.941176
82 M3M 0.6 1
83 LB2 0.6 1
84 NGR 0.6 1
85 MAN GLC 0.6 1
86 MAL EDO 0.592593 0.942857
87 BGC BGC BGC XYS GAL 0.588235 0.942857
88 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
89 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
90 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
91 LAT NAG GAL 0.588235 0.733333
92 GLC GAL NAG GAL 0.588235 0.733333
93 NGA GAL BGC 0.587302 0.733333
94 TRE 0.581395 1
95 ABD 0.57971 0.75
96 NLC 0.578947 0.733333
97 NDG GAL 0.578947 0.733333
98 GAL NDG 0.578947 0.733333
99 5GO 0.578947 0.66
100 DEL 0.574074 0.970588
101 MVP 0.571429 0.733333
102 GAL NGA GLA BGC GAL 0.571429 0.733333
103 GAL BGC BGC XYS 0.569231 0.942857
104 SGA BGC 0.568965 0.66
105 BGC BGC 0.566038 0.914286
106 BMA BMA 0.566038 0.914286
107 GLC GLC XYP 0.557377 1
108 BGC BGC XYS BGC 0.552239 0.942857
109 NAG GAL BGC 0.552239 0.733333
110 GLA GAL BGC 5VQ 0.551724 0.891892
111 G2F BGC BGC BGC BGC BGC 0.55 0.868421
112 GLA MBG 0.54902 0.942857
113 GLC ACI G6D BGC 0.547945 0.733333
114 GLC G6D ACI GLC 0.547945 0.733333
115 GLC ACI GLD GLC 0.547945 0.733333
116 GLC G6D ADH GLC 0.547945 0.733333
117 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
118 BGC BGC BGC GLC BGC BGC 0.545455 1
119 BMA BMA MAN 0.535714 1
120 MAN MAN BMA 0.535714 1
121 NGA GLA GAL BGC 0.535211 0.733333
122 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
123 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
124 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
125 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
126 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
127 BMA MAN MAN MAN 0.525424 1
128 GLA GAL GLC NBU 0.52459 0.846154
129 FUC BGC GAL 0.52459 0.970588
130 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.733333
131 GLC ACI GLD GAL 0.519481 0.702128
132 GLC ACI G6D GLC 0.519481 0.702128
133 BGC BGC BGC FRU 0.516129 0.868421
134 DOM 0.509091 0.942857
135 G3I 0.507937 0.767442
136 LMU 0.507937 0.785714
137 DMU 0.507937 0.785714
138 UMQ 0.507937 0.785714
139 OXZ BGC BGC 0.507937 0.6875
140 G2I 0.507937 0.767442
141 LMT 0.507937 0.785714
142 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
143 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
144 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
145 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
146 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
147 FMO 0.5 0.868421
148 MAN BMA NAG 0.5 0.733333
149 SOR GLC GLC 0.5 0.970588
150 GLA GAL NAG 0.5 0.733333
151 8VZ 0.5 0.673469
152 ACR GLC GLC GLC 0.493827 0.702128
153 GLC GLC DAF BGC 0.493827 0.702128
154 GLC GLC ACI G6D GLC GLC 0.493827 0.702128
155 ARE 0.493827 0.733333
156 GLC GLC AGL HMC GLC 0.493827 0.702128
157 AAO 0.493827 0.733333
158 GLC GLC XYS 0.492308 0.970588
159 MAN BMA MAN 0.491803 1
160 CGC 0.491525 0.941176
161 5QP 0.491228 0.885714
162 GAL MBG 0.490909 0.942857
163 MDM 0.490909 0.942857
164 RZM 0.490909 0.688889
165 M13 0.490909 0.942857
166 GAL NAG MAN 0.485294 0.733333
167 SOR GLC GLC GLC 0.484848 0.970588
168 GLO GLC GLC GLC 0.484848 0.970588
169 6UZ 0.484848 0.846154
170 LAG 0.484848 0.6
171 GAL BGC NAG GAL 0.478873 0.733333
172 GTM BGC BGC 0.477612 0.868421
173 10M 0.477612 0.733333
174 MAN MAN MAN MAN 0.476923 1
175 MAN MAN BMA MAN 0.476923 1
176 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
177 GAL GAL SO4 0.47619 0.66
178 NAG BMA 0.47619 0.653061
179 GAL NGA 0.47541 0.733333
180 A2G GAL 0.47541 0.733333
181 GAL A2G 0.47541 0.733333
182 GLA BMA 0.472727 1
183 GLC BGC 0.472727 1
184 GAL GAL 0.472727 1
185 GLA GLC 0.472727 1
186 BGC GLA 0.472727 1
187 GAL GLC 0.472727 1
188 GLA BGC 0.472727 1
189 BMA GLA 0.472727 1
190 BMA MAN 0.472727 1
191 MAN MAN 0.472727 1
192 BGC GLC 0.472727 1
193 MLB 0.472727 1
194 GLC GLC 0.472727 1
195 MAN BMA 0.472727 1
196 LAK 0.472727 1
197 NPJ 0.470588 0.622642
198 FUC GAL NAG GAL BGC 0.469136 0.717391
199 GAL GLC NAG GAL FUC 0.469136 0.717391
200 GLC NAG GAL GAL FUC 0.469136 0.717391
201 MAN MAN MAN GLC 0.46875 1
202 ABL 0.466667 0.702128
203 FRU GAL 0.465517 0.842105
204 BMA FRU 0.465517 0.842105
205 DAF BGC 0.464789 0.733333
206 DAF GLC 0.464789 0.733333
207 TM6 0.463768 0.916667
208 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
209 LSE 0.462687 0.6875
210 FUC GLA GLA 0.460317 0.970588
211 GAL GAL FUC 0.460317 0.970588
212 FUC GAL GLA 0.460317 0.970588
213 GLA GLA FUC 0.460317 0.970588
214 GLA GAL FUC 0.460317 0.970588
215 IFM BMA 0.457627 0.711111
216 9MR 0.457627 0.744186
217 IFM BGC 0.457627 0.711111
218 BMA IFM 0.457627 0.711111
219 BGC OXZ 0.457627 0.666667
220 RCB 0.457143 0.622642
221 GLO GLC GLC 0.457143 0.942857
222 MAN MAN MAN 0.45614 1
223 GLC GLC GLC GLC BGC 0.45614 1
224 GLC GLC GLC GLC GLC BGC 0.45614 1
225 BMA MAN MAN 0.45614 1
226 GLC GLC GLC 0.45614 1
227 WOO 0.454545 0.848485
228 GIV 0.454545 0.848485
229 BGC 0.454545 0.848485
230 ALL 0.454545 0.848485
231 GAL 0.454545 0.848485
232 GLA 0.454545 0.848485
233 GLC 0.454545 0.848485
234 GXL 0.454545 0.848485
235 BMA 0.454545 0.848485
236 MAN 0.454545 0.848485
237 ACI GLD GLC GAL 0.453333 0.733333
238 DAF BGC GLC 0.453333 0.733333
239 DAF GLC GLC 0.453333 0.733333
240 MGL SGC BGC BGC 0.450704 0.868421
241 MGL SGC GLC GLC 0.450704 0.868421
242 CM5 0.450704 0.891892
243 MAN MAN MAN BMA MAN 0.450704 1
244 BGC BGC SGC MGL 0.450704 0.868421
245 MAN MNM 0.45 0.702128
246 GLC DMJ 0.45 0.695652
247 A2G GAL BGC FUC 0.45 0.717391
248 NOJ GLC 0.45 0.695652
249 NOY BGC 0.45 0.702128
250 BMA MAN MAN MAN MAN 0.449275 1
251 GCS GCS 0.448276 0.767442
252 PA1 GCS 0.448276 0.767442
253 M5S 0.447761 1
254 MAN BMA MAN MAN MAN 0.447761 1
255 TXT 0.447368 0.767442
256 GAC 0.447368 0.767442
257 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
258 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
259 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
260 NAG GAL GAL NAG GAL 0.445946 0.6875
261 NAG GAL GAL NAG 0.445946 0.6875
262 MA4 0.444444 0.891892
263 QV4 0.444444 0.733333
264 MAN DGO 0.440678 0.914286
265 3SA 0.44 0.733333
266 Z6J 0.439024 0.742857
267 GLC GLC GLC PO4 SGC GLC 0.439024 0.66
268 AHR 0.439024 0.742857
269 RIB 0.439024 0.742857
270 FUB 0.439024 0.742857
271 32O 0.439024 0.742857
272 T6P 0.438596 0.767442
273 MMA 0.4375 0.857143
274 MBG 0.4375 0.857143
275 GYP 0.4375 0.857143
276 AMG 0.4375 0.857143
277 MAN G63 0.435484 0.653061
278 GDQ GLC 0.435484 0.666667
279 4MU BGC BGC 0.434211 0.767442
280 ISX 0.433333 0.761905
281 MAN 7D1 0.431034 0.888889
282 ACR 0.43038 0.733333
283 QPS 0.43038 0.733333
284 GAL MGC 0.428571 0.702128
285 4MU BGC BGC BGC BGC 0.428571 0.767442
286 GAL NDG FUC 0.422535 0.717391
287 FUC NDG GAL 0.422535 0.717391
288 HMC AGL GLC 0.421053 0.717391
289 KHO 0.421053 0.888889
290 GCS GCS GCS 0.419355 0.767442
291 GCS GCS GCS GCS GCS 0.419355 0.767442
292 GCS GCS GCS GCS GCS GCS 0.419355 0.767442
293 GAL NAG GAL 0.418919 0.702128
294 NGT GAL 0.41791 0.66
295 GAL NGT 0.41791 0.66
296 P3M 0.41791 0.767442
297 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
298 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
299 TUR 0.416667 0.842105
300 BTU 0.416667 0.842105
301 GLC FRU 0.416667 0.842105
302 GLA MAN ABE 0.414286 0.916667
303 NAG NAG BMA 0.413333 0.634615
304 NAG NDG BMA 0.413333 0.634615
305 ACR GLC GLC GLC GLC 0.4125 0.702128
306 ACR GLC 0.4125 0.702128
307 AHR AHR AHR AHR AHR AHR 0.410714 0.857143
308 FUB AHR AHR 0.410714 0.857143
309 VAM 0.409836 0.868421
310 GLF B8D 0.409836 0.775
311 DAF GLC DAF GLC GLC 0.409639 0.702128
312 ACI GLD GLC ACI G6D BGC 0.409639 0.702128
313 AC1 GLC AC1 BGC 0.409639 0.702128
314 ACI G6D GLC ACI G6D BGC 0.409639 0.702128
315 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.702128
316 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.702128
317 MAN MMA MAN 0.409091 0.942857
318 FUB AHR 0.407407 0.857143
319 AHR AHR 0.407407 0.857143
320 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.653061
321 4U0 0.406593 0.66
322 BGC BGC SSG PIH 0.405063 0.767442
323 GLA MAN RAM ABE 0.405063 0.891892
324 G1P 0.403846 0.697674
325 GL1 0.403846 0.697674
326 XGP 0.403846 0.697674
327 M1P 0.403846 0.697674
328 GLC IFM 0.403226 0.727273
329 MAN IFM 0.403226 0.727273
330 MAN MAN MAN MAN MAN MAN MAN 0.402597 1
331 XZZ BGC BGC 0.402439 0.702128
332 ACG 0.402299 0.695652
333 FUC GAL 0.4 0.941176
Ligand no: 2; Ligand: GAL GLC; Similar ligands found: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GLA 1 1
2 GAL GLC 1 1
3 GLA BGC 1 1
4 BGC GLC 1 1
5 GLA GLC 1 1
6 LAK 1 1
7 GAL GAL 1 1
8 GLC BGC 1 1
9 MLB 1 1
10 MAN BMA 1 1
11 MAN MAN 1 1
12 BMA GLA 1 1
13 BMA MAN 1 1
14 GLC GLC 1 1
15 GLA BMA 1 1
16 BMA MAN MAN 0.953488 1
17 GLC GLC GLC GLC GLC BGC 0.953488 1
18 MAN MAN MAN 0.953488 1
19 GLC GLC GLC 0.953488 1
20 GLC GLC GLC GLC BGC 0.953488 1
21 AHR AHR 0.75 0.857143
22 FUB AHR 0.75 0.857143
23 MAN MAN MAN MAN 0.732143 1
24 MAN MAN BMA MAN 0.732143 1
25 AHR AHR AHR AHR AHR AHR 0.702128 0.857143
26 FUB AHR AHR 0.702128 0.857143
27 MAN BMA MAN 0.672727 1
28 MAN MMA 0.66 0.942857
29 GLC GLC GLC BGC 0.633333 1
30 M5S 0.606557 1
31 MAN BMA MAN MAN MAN 0.606557 1
32 MAN MAN MAN BMA MAN 0.575758 1
33 BMA BMA GLA BMA BMA 0.546875 1
34 MAN MMA MAN 0.540984 0.942857
35 MAN MAN MAN MAN MAN MAN MAN 0.535211 1
36 RAF 0.515625 0.891892
37 GIV 0.511628 0.848485
38 GLA 0.511628 0.848485
39 WOO 0.511628 0.848485
40 MAN 0.511628 0.848485
41 GAL 0.511628 0.848485
42 GLC 0.511628 0.848485
43 BGC 0.511628 0.848485
44 GXL 0.511628 0.848485
45 BMA 0.511628 0.848485
46 ALL 0.511628 0.848485
47 STW 0.507692 0.891892
48 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
49 BMA MAN MAN MAN MAN 0.485294 1
50 NGB 0.485294 0.622642
51 4CQ 0.483871 0.970588
52 WZ2 0.477612 0.868421
53 LBT 0.472727 1
54 N9S 0.472727 1
55 CBI 0.472727 1
56 MAB 0.472727 1
57 LAT 0.472727 1
58 CBK 0.472727 1
59 B2G 0.472727 1
60 BGC BMA 0.472727 1
61 GLC GAL 0.472727 1
62 GLA GLA 0.472727 1
63 BMA GAL 0.472727 1
64 GLA GAL 0.472727 1
65 MAL 0.472727 1
66 GAL BGC 0.472727 1
67 BGC GAL 0.472727 1
68 NAG MAN MAN 0.472222 0.733333
69 RGG 0.471698 0.882353
70 SUC GLA 0.471429 0.891892
71 DMJ MAN 0.466667 0.695652
72 NOJ BGC 0.466667 0.695652
73 WZ3 0.463768 0.916667
74 DEG 0.462963 0.769231
75 IFM MAN 0.459016 0.711111
76 EMZ 0.458333 0.783784
77 M6P 0.45098 0.674419
78 G6P 0.45098 0.674419
79 BG6 0.45098 0.674419
80 M6D 0.45098 0.674419
81 A6P 0.45098 0.674419
82 BGP 0.45098 0.674419
83 AHR AHR AHR 0.45 0.805556
84 EBG 0.446429 0.837838
85 M3M 0.446429 1
86 LB2 0.446429 1
87 NGR 0.446429 1
88 EBQ 0.446429 0.789474
89 MAN GLC 0.446429 1
90 MT7 0.440678 1
91 MAN BMA BMA BMA BMA BMA 0.440678 1
92 DXI 0.440678 1
93 GLC GAL GAL 0.440678 1
94 BGC BGC BGC BGC 0.440678 1
95 GLC BGC BGC BGC BGC BGC 0.440678 1
96 GLC BGC GLC 0.440678 1
97 CEX 0.440678 1
98 GLC BGC BGC BGC BGC 0.440678 1
99 BGC GLC GLC GLC GLC GLC GLC 0.440678 1
100 MLR 0.440678 1
101 BGC BGC BGC BGC BGC 0.440678 1
102 CE5 0.440678 1
103 MAN BMA BMA BMA BMA 0.440678 1
104 BMA BMA BMA BMA BMA 0.440678 1
105 MTT 0.440678 1
106 MAN MAN BMA BMA BMA BMA 0.440678 1
107 GLC GLC GLC GLC GLC 0.440678 1
108 BGC GLC GLC 0.440678 1
109 BMA MAN BMA 0.440678 1
110 BGC GLC GLC GLC 0.440678 1
111 GLA GAL GLC 0.440678 1
112 CT3 0.440678 1
113 BGC BGC BGC 0.440678 1
114 BGC BGC GLC 0.440678 1
115 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.440678 1
116 CTR 0.440678 1
117 CEY 0.440678 1
118 GLC BGC BGC 0.440678 1
119 GLA GAL BGC 0.440678 1
120 BMA BMA BMA BMA BMA BMA 0.440678 1
121 GLC GLC BGC 0.440678 1
122 CTT 0.440678 1
123 BGC BGC BGC BGC BGC BGC 0.440678 1
124 BGC BGC BGC GLC 0.440678 1
125 MAN BMA BMA 0.440678 1
126 B4G 0.440678 1
127 GAL GAL GAL 0.440678 1
128 BGC GLC GLC GLC GLC 0.440678 1
129 CE8 0.440678 1
130 BMA BMA BMA 0.440678 1
131 GLC BGC BGC BGC 0.440678 1
132 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
133 CE6 0.440678 1
134 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.439024 0.6875
135 1GN ACY GAL ACY 1GN BGC GAL BGC 0.439024 0.6875
136 JZR 0.438596 0.714286
137 BHG 0.438596 0.714286
138 GLC HEX 0.438596 0.714286
139 TRE 0.4375 1
140 BMA Z4Y NAG 0.435897 0.717391
141 B7G 0.431034 0.738095
142 KGM 0.431034 0.738095
143 2M4 0.428571 1
144 MBG 0.428571 0.857143
145 MMA 0.428571 0.857143
146 GYP 0.428571 0.857143
147 AMG 0.428571 0.857143
148 GAL GAL SO4 0.424242 0.66
149 BOG 0.423729 0.738095
150 BNG 0.423729 0.738095
151 HSJ 0.423729 0.738095
152 M1P 0.423077 0.697674
153 XGP 0.423077 0.697674
154 G1P 0.423077 0.697674
155 GL1 0.423077 0.697674
156 BGC BGC XYS BGC 0.418919 0.942857
157 GAL FUC 0.416667 0.941176
158 SER MAN 0.416667 0.72093
159 XYT 0.415385 0.767442
160 BQZ 0.415094 0.909091
161 6SA 0.414894 0.733333
162 GAL BGC NAG GAL 0.413333 0.733333
163 GAL BGC BGC XYS 0.410959 0.942857
164 BGC BGC BGC GLC BGC BGC 0.409836 1
165 GLC BGC BGC BGC BGC BGC BGC 0.409836 1
166 GLA EGA 0.409836 0.942857
167 DGD 0.409639 0.733333
168 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.409091 0.733333
169 NAG NAG BMA MAN MAN 0.406977 0.6875
170 T6P 0.40678 0.767442
171 GLA GAL GAL 0.40625 1
172 IAB 0.404494 0.733333
173 MAN MAN BMA 0.403226 1
174 BMA BMA MAN 0.403226 1
175 GLC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
176 BGC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
177 BGC BGC XYS BGC XYS BGC XYS 0.402597 0.942857
178 BMA MAN MAN MAN 0.4 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WV6; Ligand: GAL BGC; Similar sites found with APoc: 451
This union binding pocket(no: 1) in the query (biounit: 3wv6.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1OPB RET None
2 5NIU 8YZ None
3 1Y7P RIP None
4 5N2F 8HW None
5 4QRH 0O2 None
6 2BOS GLA GAL GLC None
7 2BOS GLA GAL None
8 2TPS TPS 0.881057
9 5H5A 6OU 1.25
10 4MP8 MLI 1.35135
11 4MP8 NAD 1.35135
12 3II1 BGC 1.35135
13 3H7J PPY 1.64609
14 4BVA T3 1.68919
15 2XXP DSL 1.68919
16 3HDY GDU 1.68919
17 3HDY FAD 1.68919
18 4D1J DGJ 1.68919
19 3ACL 3F1 1.68919
20 3EKK GS2 1.68919
21 5FP3 3JI 1.68919
22 4H6Q TFB 1.68919
23 4IMO PWZ 1.70455
24 5IXG OTP 1.77515
25 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 1.78571
26 5IXH OTP 1.86335
27 1DMY AZM 2.01613
28 5YBN AKG 2.02703
29 2Y3S TIR 2.02703
30 2CER PGI 2.02703
31 3QT6 2P0 2.02703
32 1UUO ORO 2.02703
33 1UUO BRF 2.02703
34 1UUO FMN 2.02703
35 1PX8 XYP 2.02703
36 5MJA 7O3 2.02703
37 5W4W 9WG 2.02703
38 5U6C 7YS 2.02703
39 4KBA 1QM 2.02703
40 6EWZ APC 2.1097
41 3BZ3 YAM 2.17391
42 3FW4 CAQ 2.24719
43 6EHH 2GE 2.27273
44 5J75 6GQ 2.27273
45 1N1D C2G 2.32558
46 5DS8 GLY 5CT GLY ALA 2.33645
47 5DUB GLY 5GG GLY ALA 2.33645
48 4OPC PGT 2.36486
49 4P42 PEE 2.36486
50 3OGV PTQ 2.36486
51 4OPC FDA 2.36486
52 5NKB 8ZT 2.36486
53 4PU5 ANP 2.36486
54 5OKL PAM 2.36486
55 1Z03 OCH 2.36486
56 2J7T 274 2.36486
57 1Q79 3AT 2.36486
58 4ZLU ADP 2.36486
59 4ZLU 4PW 2.36486
60 6EJ2 B7E 2.36486
61 3VSV XYP 2.36486
62 1KOR SIN 2.36486
63 1KOR ANP 2.36486
64 1KOR ARG 2.36486
65 4S3F 43W 2.36486
66 1ELI PYC 2.36486
67 1OLM VTQ 2.36486
68 4CQE CQE 2.51799
69 5OCG 9R5 2.6455
70 2CM4 RCL 2.66667
71 1R5L VIV 2.67176
72 2JEQ GAL BGC BGC BGC XYS BGC XYS 2.7027
73 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 2.7027
74 4IGH ORO 2.7027
75 4IGH FMN 2.7027
76 4IGH 1EA 2.7027
77 1GP6 DH2 2.7027
78 1GP6 QUE 2.7027
79 1GP6 SIN 2.7027
80 3ZMR GLO BGC BGC XYS BGC XYS XYS 2.7027
81 5IH9 6BF 2.7027
82 1OBD ATP 2.7027
83 3AXX CBI 2.7027
84 3RJY GLC 2.7027
85 5GXU FAD 2.7027
86 5DX9 T6P 2.7027
87 3LVW GSH 2.7027
88 5KF6 FAD 2.7027
89 5KF6 TFB 2.7027
90 4ITH RCM 2.72109
91 6FE1 V14 2.72374
92 5OX6 A1Z 2.77778
93 3N0Y APC 2.7933
94 5GM9 CBK 2.8169
95 6FA4 D1W 2.89017
96 1ZNY GDP 2.89855
97 6CC0 EWM 2.95359
98 3W68 VIV 3.00752
99 3MF2 AMP 3.04054
100 5N87 N66 3.04054
101 1DY4 SNP 3.04054
102 1VA6 P2S 3.04054
103 1VA6 ADP 3.04054
104 2XN2 GLA 3.04054
105 3SHR CMP 3.04054
106 4ORM ORO 3.04054
107 4ORM 2V6 3.04054
108 4ORM FMN 3.04054
109 4XCB HY0 3.06513
110 5W10 CMP 3.07692
111 5VC5 96M 3.11419
112 4OCT AKG 3.15315
113 5OCQ 9RN G4S 9RN G4S 3.15789
114 3E85 BSU 3.16456
115 3EXS 5RP 3.16742
116 3OJI PYV 3.1746
117 5UC4 83S 3.18182
118 4K55 H6P 3.22581
119 3PNA CMP 3.24675
120 5GP0 GPP 3.3557
121 1UNB PN1 3.37838
122 1UNB AKG 3.37838
123 4NV7 COA 3.37838
124 5YU3 NAD 3.37838
125 5YU3 PRO 3.37838
126 4RPL 3UC 3.37838
127 4RPL FAD 3.37838
128 1KJ8 ATP 3.37838
129 1KJ8 GAR 3.37838
130 1ST0 GTG 3.37838
131 5KD6 LBU 3.37838
132 4QDF 30Q 3.37838
133 5IH1 6BQ 3.37838
134 5IH1 GDP 3.37838
135 5KD6 6C7 3.37838
136 4QDC ASD 3.37838
137 4GYI ADP 3.37838
138 2E0P CTT 3.37838
139 2IRY DGT 3.37838
140 5HXI 5HN 3.37838
141 3QXQ CE5 3.37838
142 1S4M LUM 3.41297
143 6MPT C30 3.4965
144 2YIP YIO 3.62319
145 5HCF BGC 3.69004
146 2A1L PCW 3.7037
147 6GNO XDI 3.7037
148 3KFF ZBT 3.7037
149 3KFF XBT 3.7037
150 3DLG GWE 3.71622
151 5Y72 DST 3.71622
152 4YZC STU 3.71622
153 3ZXR P3S 3.71622
154 3ZXR IQ1 3.71622
155 4J36 1HR 3.71622
156 4BJZ FAD 3.71622
157 4BJZ P3A 3.71622
158 1F52 ADP 3.71622
159 5EO8 TFU 3.71622
160 2ZYI STE 3.71622
161 4U03 TLL 3.71622
162 4U03 GTP 3.71622
163 6EOZ AKG 3.71622
164 6EOZ 58K 3.71622
165 3T1A 5MA 3.71622
166 5WL0 21G 3.71622
167 4J36 FAD 3.71622
168 3ILR IXD 3.71622
169 3ILR SGN IXD 3.71622
170 3ILR SGN 3.71622
171 3U6W KIV 3.71622
172 4GID 0GH 3.71622
173 5AYI BGC 3.71622
174 4P25 FUC GAL NAG FUC 3.71622
175 2YNE YNE 3.71622
176 2YNE NHW 3.71622
177 1PZO CBT 3.80228
178 4RYV ZEA 3.87097
179 1QY1 PRZ 4.02299
180 4D5B ACX 4.05405
181 3UN3 G16 4.05405
182 5F2T PLM 4.05405
183 6C1S EFV 4.05405
184 5ZM4 9FU 4.05405
185 5ZM4 AKG 4.05405
186 1TOI HCI 4.05405
187 3PUR 2HG 4.05405
188 5C3R AKG 4.05405
189 5C3R HMU 4.05405
190 3B1Q NOS 4.05405
191 1EHI ADP 4.05405
192 1NYW DAU 4.06091
193 4TWL ASC 4.06504
194 4WUJ FMN 4.08163
195 3FW3 ETS 4.13534
196 4ZU5 THM 4.16667
197 5DQ8 FLF 4.16667
198 5E2N V14 4.18251
199 3HY8 PLP 4.21456
200 3STD MQ0 4.24242
201 5EPQ OLA 4.26829
202 2Z77 HE7 4.31655
203 3AGC RCC 4.34783
204 1UJ2 C5P 4.36508
205 3E8N VRA 4.39189
206 3E8N ATP 4.39189
207 5MZI FAD 4.39189
208 5MZI FYK 4.39189
209 2AMV BIN 4.39189
210 4J7Q B7N 4.39189
211 3CQD ATP 4.39189
212 5W0N UPU 4.39189
213 5HES 032 4.39189
214 5ZTN CUR 4.39189
215 6FUL E7Z 4.39189
216 2RG0 CBI 4.39189
217 3V4S ADP 4.39189
218 4NMC 2OP 4.39189
219 4NMC FAD 4.39189
220 3GL0 HXX 4.39189
221 2RFZ CTR 4.39189
222 2FCU AKG 4.39189
223 5UR6 8KM 4.41989
224 3THR C2F 4.43686
225 5JSP DQY 4.47761
226 5VL2 9EG 4.54545
227 5TPV TYD 4.57516
228 5KJZ PCG 4.66667
229 4ZSI 4R1 4.67836
230 4ZSI GLP 4.67836
231 3T50 FMN 4.6875
232 1KGI T4A 4.72441
233 4LA7 A1O 4.72973
234 4WVO 3UZ 4.72973
235 1GQG DCD 4.72973
236 5X8G S0N 4.74227
237 2I74 MAN MAN MAN MAN 4.7619
238 1EWJ BLM 4.7619
239 2F3R G5P 4.83092
240 3AJH BL3 4.83871
241 3VQ2 LP4 LP5 MYR DAO 4.86111
242 2AG4 OLA 4.87805
243 2AG4 LP3 4.87805
244 4J6W CTP 4.87805
245 1I7E IBS 4.90566
246 3B6R ADP 5.06757
247 2J3M PRI 5.06757
248 2J3M ATP 5.06757
249 1DZK PRZ 5.09554
250 3ENG CBI 5.16432
251 5FQK 6NT 5.20446
252 4WN5 MVC 5.21739
253 5BV6 35G 5.26316
254 3AMN CBK 5.28302
255 3AMN CBI 5.28302
256 5KEW 6SB 5.31915
257 1N5S ADL 5.35714
258 1UU6 BGC BGC BGC BGC 5.35714
259 2Z6D FMN 5.38462
260 2HKA C3S 5.38462
261 1UMZ BGC BGC XYS BGC XYS GAL 5.39568
262 5FXD H7Y 5.40541
263 5DEY 59T 5.40541
264 3OZ2 OZ2 5.40541
265 1M15 ADP 5.40541
266 1M15 ARG 5.40541
267 4NZN 2OU 5.40541
268 4NZN ANP 5.40541
269 3TTI KBI 5.40541
270 4OAV ACP 5.40541
271 1CX4 CMP 5.40541
272 2OJW ADP 5.40541
273 1E6E FAD 5.46875
274 6GBV FMN 5.47945
275 2V0U FMN 5.47945
276 2HRL SIA GAL SIA BGC NGA CEQ 5.51181
277 5DJU FMN 5.51724
278 6GG9 FMN 5.55556
279 1OGZ EQU 5.6
280 5AIG VPR 5.6
281 5FU3 BGC BGC BGC 5.66038
282 1MJJ HAL 5.72687
283 3QRC SCR 5.73248
284 5VNF VAL THR SER VAL VAL 5.73248
285 3PQB VGP 5.74324
286 4HWS 1B3 5.74324
287 5I0F GLC GLC 5.74324
288 3M3R BCD 5.80205
289 3PG7 PTY 5.85938
290 6D6L FY4 5.88235
291 3E2M E2M 5.94595
292 5BU3 4W9 5.97826
293 3AKK ADP 6.08108
294 3UG4 AHR 6.08108
295 1SQI 869 6.08108
296 1MH5 HAL 6.08696
297 1TT8 PHB 6.09756
298 1P0Z FLC 6.10687
299 2BWA GLC BGC 6.1674
300 1GT4 UNA 6.28931
301 5AYT L6Y 6.28931
302 4GJ3 0XP 6.29139
303 4H2V AMP 6.36364
304 2WA4 069 6.41892
305 3W8X FTK 6.41892
306 3W8X FAD 6.41892
307 2VFT SOR 6.41892
308 4WUP 3UF 6.53846
309 1U0A BGC BGC BGC BGC 6.54206
310 6G9I CXX 6.54762
311 5EW9 5VC 6.64207
312 6D61 4AA 6.66667
313 2J9C ATP 6.72269
314 4ZU4 4TG 6.75676
315 4GCZ FMN 6.75676
316 1TIW FAD 6.75676
317 1TIW TFB 6.75676
318 1SDW IYT 6.75676
319 2GJ5 VD3 6.79012
320 1OGX EQU 6.87023
321 2ET1 GLV 6.96517
322 1ZM1 BGC BGC BGC 7.05394
323 4QCK ASD 7.09459
324 2XMY CDK 7.09459
325 3JU6 ANP 7.09459
326 4WOE ADP 7.09459
327 5TA6 79D 7.09459
328 4NW6 2NS 7.09459
329 2YFO GAL 7.09459
330 2YFO GLA 7.09459
331 3FC2 IBI 7.09459
332 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 7.14286
333 3BJK CIT 7.18954
334 3MTX PGT 7.28477
335 1ODM ASV 7.43243
336 4BG4 ADP 7.43243
337 1VRP ADP 7.43243
338 1TXR BES 7.43243
339 2YG2 FLC 7.55814
340 2YG2 S1P 7.55814
341 4OFG PCG 7.63889
342 1H4H XYP XYS XYP 7.6555
343 4MUV PCG 7.74648
344 4H2X G5A 7.76699
345 4H2W AMP 7.76699
346 4H2W 5GP 7.76699
347 1YKD CMP 7.77027
348 4USI ATP 7.79221
349 3TCT 3MI 7.87402
350 5DRB 5FJ 7.90378
351 3EEL 53T 7.92952
352 4HK8 XYP XYP XYP XYP XYP XYP 7.93651
353 3BXO UPP 7.94979
354 5FPX GLY SER SER HIS HIS HIS HIS HIS 7.9646
355 1MEX RAC 7.98122
356 2AGC DAO 8.02469
357 5XQW 8EU 8.05687
358 5ENQ 5QE 8.10811
359 2OBD 2OB 8.10811
360 4YGF AZM 8.11966
361 4U0W 16G 8.13008
362 3EEB IHP 8.13397
363 2Q0D ATP 8.2153
364 1ZB6 GST 8.44595
365 1ZB6 DIN 8.44595
366 3CMJ SRT 8.44595
367 5HZX 2GE 8.52273
368 3PFG TLO 8.74525
369 3PFG SAM 8.74525
370 4WW8 VD9 8.74525
371 1J3R 6PG 8.94737
372 5EZU MYR 8.98876
373 3E8T UQ8 9.09091
374 1F3D TPM 9.21659
375 5DXI TRE 9.45946
376 1I82 BGC BGC 9.52381
377 2E56 MYR 9.72222
378 4NG2 OHN 9.73451
379 5C1P ADP 9.7973
380 1QIN GIP 9.83607
381 5FBN 5WF 9.9631
382 4R38 RBF 10
383 3G08 FEE 10.101
384 3SCM LGN 10.101
385 3RUG DB6 10.101
386 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 10.101
387 5ANU 58T 10.1266
388 1EM6 CP4 10.1351
389 4KYS VIB 10.473
390 5H2D ERG 10.473
391 3F7Z 34O 10.473
392 4NM5 ADP 10.473
393 5B09 4MX 10.5769
394 4EMV 0R9 10.6195
395 5ML3 DL3 10.7383
396 5NBW 8SK 10.7477
397 3QUZ QUV 10.7884
398 4HIA FMN 10.7955
399 4BVM PLM 11.2782
400 4BVM VCA 11.2782
401 4P7X YCP 11.3014
402 4P7X AKG 11.3014
403 4EES FMN 11.3043
404 1AJ0 PH2 11.3475
405 1AJ0 SAN 11.3475
406 1OPK P16 11.4865
407 3TAY MN0 11.6564
408 5XEG AKG 11.6883
409 3ZO7 K6H 11.7021
410 5DKK FMN 11.7241
411 4JH6 FCN 12.3188
412 5NCF 8T5 12.3894
413 2FR3 REA 12.4088
414 3B00 16A 12.5
415 5H9Y BGC BGC BGC BGC 12.5
416 3VMG 9CA 13.0435
417 4RF7 ARG 13.1757
418 5JR6 01B PRO PRO ALA NH2 13.1757
419 4H6B 10X 13.3333
420 4H6B 10Y 13.3333
421 5A65 TPP 13.3641
422 1EX7 5GP 13.4409
423 4IEN GDP 13.4969
424 5FKP 6UL 13.6364
425 4M1U A2G MBG 14.2857
426 1C4Q GLA GAL BGC 14.4928
427 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 14.6444
428 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 15.3061
429 2Z6C FMN 15.5039
430 2UX9 FMN 15.942
431 5OO5 UUA 16.129
432 1KQW RTL 16.4179
433 5HA0 LTD 16.6667
434 4MNS 2AX 16.9811
435 4X6F 3XU 17.1429
436 4RFR RHN 17.734
437 4WO4 JLS 18
438 5U98 1KX 18.1818
439 6E08 NAP 19.2568
440 4K3H 1OM 19.4915
441 4XO8 KGM 19.6203
442 6CDG PRO GLY LEU TRP LYS SER 19.7605
443 5TBM 79A 21.3675
444 1NWW HPN 22.8188
445 3D72 FAD 22.8188
446 5TFZ 7BC 23.3333
447 2P7Q GG6 24.0602
448 5SVV FMN 24.8175
449 3M3E GAL A2G NPO 25.4658
450 5LJB RTL 31.8519
451 3VV1 GAL FUC 43.75
Pocket No.: 2; Query (leader) PDB : 3WV6; Ligand: GAL GLC; Similar sites found with APoc: 313
This union binding pocket(no: 2) in the query (biounit: 3wv6.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1OPB RET None
2 4QRH 0O2 None
3 5NIU 8YZ None
4 5N2F 8HW None
5 5C8W PCG None
6 5N2D 8J8 None
7 5H5A 6OU 1.25
8 4MP8 MLI 1.35135
9 4MP8 NAD 1.35135
10 3ETH ATP 1.35135
11 5F33 PGH 1.35135
12 4BVA T3 1.68919
13 4D1J DGJ 1.68919
14 2XXP DSL 1.68919
15 3EKK GS2 1.68919
16 4AG8 AXI 1.68919
17 2WSA 646 1.68919
18 2WSA MYA 1.68919
19 4LHW GNP 1.72414
20 1TU3 GNP 1.75439
21 5IXG OTP 1.77515
22 5IXH OTP 1.86335
23 5EQU 5R6 2.02703
24 4QMN DB8 2.02703
25 1PX8 XYP 2.02703
26 4KBA 1QM 2.02703
27 2Y3S TIR 2.02703
28 5W4W 9WG 2.02703
29 4B9Z ACR 2.02703
30 3DNT ATP 2.02703
31 2R5V HHH 2.02703
32 6EWZ APC 2.1097
33 3BZ3 YAM 2.17391
34 5DS8 GLY 5CT GLY ALA 2.33645
35 5DUB GLY 5GG GLY ALA 2.33645
36 5NKB 8ZT 2.36486
37 3PE2 E1B 2.36486
38 1Z03 OCH 2.36486
39 2J7T 274 2.36486
40 1KOR ANP 2.36486
41 1Q79 3AT 2.36486
42 1KOR SIN 2.36486
43 1KOR ARG 2.36486
44 4OPC PGT 2.36486
45 3F5K CE5 2.36486
46 4ZLU 4PW 2.36486
47 4ZLU ADP 2.36486
48 1YNH SUO 2.36486
49 3VSV XYP 2.36486
50 3OGV PTQ 2.36486
51 3NX2 FER 2.38095
52 4CQE CQE 2.51799
53 5OCG 9R5 2.6455
54 2CM4 RCL 2.66667
55 3ZMR GLO BGC BGC XYS BGC XYS XYS 2.7027
56 1GP6 QUE 2.7027
57 1GP6 SIN 2.7027
58 1GP6 DH2 2.7027
59 4IGH ORO 2.7027
60 4IGH FMN 2.7027
61 4IGH 1EA 2.7027
62 2JEQ GAL BGC BGC BGC XYS BGC XYS 2.7027
63 3RJY GLC 2.7027
64 5IH9 6BF 2.7027
65 3WDX BGC BGC GLC 2.7027
66 3LVW GSH 2.7027
67 1XC6 GAL 2.7027
68 3L8W XAN 2.7027
69 5GXU FAD 2.7027
70 3AXX CBI 2.7027
71 6FE1 V14 2.72374
72 3N0Y APC 2.7933
73 6FA4 D1W 2.89017
74 1ZNY GDP 2.89855
75 2VWA PTY 2.9703
76 3W68 VIV 3.00752
77 3MF2 AMP 3.04054
78 5N87 N66 3.04054
79 3SHR CMP 3.04054
80 4BR5 ANP 3.04054
81 4HWT 1B2 3.04054
82 1VA6 P2S 3.04054
83 1VA6 ADP 3.04054
84 3X0Y FMN 3.04054
85 2NZ2 CIR 3.04054
86 6FXR AKG 3.04054
87 5VC5 96M 3.11419
88 4L4J NAG NAG BMA MAN NAG 3.16742
89 3OJI PYV 3.1746
90 5UC4 83S 3.18182
91 4IAW LIZ 3.19149
92 3TYZ PAB 3.21429
93 4K55 H6P 3.22581
94 5GP0 GPP 3.3557
95 4NV7 COA 3.37838
96 1UNB PN1 3.37838
97 1UNB AKG 3.37838
98 4G31 0WH 3.37838
99 1ST0 GTG 3.37838
100 4QDF 30Q 3.37838
101 5KD6 LBU 3.37838
102 5KD6 6C7 3.37838
103 2BMB PMM 3.37838
104 2IRY DGT 3.37838
105 5YU3 PRO 3.37838
106 5YU3 NAD 3.37838
107 4LX0 BEF GDP 3.38983
108 1IIU RTL 3.44828
109 6MPT C30 3.4965
110 3KFF ZBT 3.7037
111 3KFF XBT 3.7037
112 2A1L PCW 3.7037
113 6GNO XDI 3.7037
114 1VYF OLA 3.7037
115 4J36 1HR 3.71622
116 5EO8 TFU 3.71622
117 5Y72 DST 3.71622
118 4P25 FUC GAL NAG FUC 3.71622
119 3ILR IXD 3.71622
120 3ILR SGN 3.71622
121 3ILR SGN IXD 3.71622
122 5WL0 21G 3.71622
123 3T1A 5MA 3.71622
124 4YZC STU 3.71622
125 4RFM 3P6 3.7594
126 4Q0P 0MK 3.84615
127 1T57 FMN 3.8835
128 1QY1 PRZ 4.02299
129 4D5B ACX 4.05405
130 4P8K FAD 4.05405
131 4P8K 38C 4.05405
132 5C3R AKG 4.05405
133 5C3R HMU 4.05405
134 3OBK PBG 4.05405
135 4PIV 2W4 4.05405
136 3UN3 G16 4.05405
137 1TOI HCI 4.05405
138 5DQ8 FLF 4.16667
139 4ZU5 THM 4.16667
140 5E2N V14 4.18251
141 2ZMF CMP 4.2328
142 3STD MQ0 4.24242
143 5EPQ OLA 4.26829
144 2Z77 HE7 4.31655
145 5ZTN CUR 4.39189
146 3E8N ATP 4.39189
147 3E8N VRA 4.39189
148 1E8G FAD 4.39189
149 1E8G FCR 4.39189
150 5MZI FYK 4.39189
151 5MZI FAD 4.39189
152 5MGD GLC GAL GAL 4.39189
153 3SLS 77D 4.39189
154 3CQD ATP 4.39189
155 4NMC FAD 4.39189
156 5W0N 2KH 4.39189
157 5UR6 8KM 4.41989
158 3THR C2F 4.43686
159 2V58 LZJ 4.45434
160 5JSP DQY 4.47761
161 1DQX BMP 4.49438
162 5TPV TYD 4.57516
163 4ZSI GLP 4.67836
164 4ZSI 4R1 4.67836
165 3T50 FMN 4.6875
166 1KGI T4A 4.72441
167 4LA7 A1O 4.72973
168 4WVO 3UZ 4.72973
169 1GQG DCD 4.72973
170 5WZE PRO 4.72973
171 1F9V ADP 4.72973
172 2I74 MAN MAN MAN MAN 4.7619
173 2AG4 LP3 4.87805
174 2AG4 OLA 4.87805
175 5N0L ILE 5.03145
176 2AXR ABL 5.06757
177 5JKG 6LF 5.06757
178 2J3M PRI 5.06757
179 2J3M ATP 5.06757
180 1DZK PRZ 5.09554
181 5VGS 9A7 5.09554
182 5VGS 9A4 5.09554
183 5KEW 6SB 5.31915
184 1N5S ADL 5.35714
185 4RPO T6C 5.38117
186 2Z6D FMN 5.38462
187 1UMZ BGC BGC XYS BGC XYS GAL 5.39568
188 5FXD H7Y 5.40541
189