Receptor
PDB id Resolution Class Description Source Keywords
2D6N 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MOUSE GALECTIN-9 N-TERMINAL CRD IN COMP N-ACETYLLACTOSAMINE MUS MUSCULUS BETA SANDWICH CARBOHYDRATE BINDING PROTEIN GALECTIN SUGARPROTEIN
Ref.: CRYSTAL STRUCTURE OF THE GALECTIN-9 N-TERMINAL CARB RECOGNITION DOMAIN FROM MUS MUSCULUS REVEALS THE BA MECHANISM OF CARBOHYDRATE RECOGNITION J.BIOL.CHEM. V. 281 35884 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL NAG A:500;
B:600;
Valid;
Valid;
none;
none;
submit data
383.35 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2D6M 1.6 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MOUSE GALECTIN-9 N-TERMINAL CRD IN COMPLEX WITH LACTOSE MUS MUSCULUS BETA SANDWICH CARBOHYDRATE BINDING PROTEIN GALECTIN SUGARBINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE GALECTIN-9 N-TERMINAL CARBOHYDRATE RECOGNITION DOMAIN FROM MUS MUSCULUS REVEALS THE BASIC MECHANISM OF CARBOHYDRATE RECOGNITION J.BIOL.CHEM. V. 281 35884 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2D6N - GAL NAG n/a n/a
2 2D6M - LBT C12 H22 O11 C([C@@H]1[....
3 2D6O - NAG GAL GAL NAG n/a n/a
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2D6N - GAL NAG n/a n/a
2 2D6M - LBT C12 H22 O11 C([C@@H]1[....
3 2D6O - NAG GAL GAL NAG n/a n/a
4 2EAL - GAL NGA A2G n/a n/a
5 2ZHL Kd = 3 uM NAG GAL GAL NAG n/a n/a
6 2ZHK Kd = 3 uM NAG GAL GAL NAG n/a n/a
7 2ZHN - NAG GAL NAG GAL GAL NAG n/a n/a
8 2ZHM - NAG GAL GAL NAG GAL n/a n/a
9 2EAK - LBT C12 H22 O11 C([C@@H]1[....
10 3WLU - LSE C18 H36 O10 Se Si C[Si](C)(C....
50% Homology Family (94)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 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 5E88 Kd = 0.065 uM 5KT C24 H28 N6 O8 S3 c1cscc1c2c....
13 4R9D - LAT C12 H22 O11 C([C@@H]1[....
14 1KJL Kd = 67 uM GAL NAG n/a n/a
15 3T1L Kd = 0.55 mM MQT C17 H22 O8 Cc1ccc(cc1....
16 2XG3 Kd = 18.2 uM UNU GAL NAG n/a n/a
17 4LBJ Kd = 0.39 uM GAL NAG GAL BGC n/a n/a
18 4R9C - LAT C12 H22 O11 C([C@@H]1[....
19 3ZSJ Kd = 231 uM LAT C12 H22 O11 C([C@@H]1[....
20 4LBM Kd = 0.97 uM BGC GAL NAG GAL n/a n/a
21 1KJR Kd = 0.88 uM BEK GAL NAG n/a n/a
22 3AYE - LAT C12 H22 O11 C([C@@H]1[....
23 5E89 Kd = 0.014 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
24 4LBO Kd = 1.7 uM BGC GAL SIA n/a n/a
25 2NMO Kd = 260 uM GAL BGC n/a n/a
26 3AYC Kd = 57 uM GAL NGA GAL BGC SIA n/a n/a
27 4JCK Kd = 4.3 mM 1LL C12 H22 O10 S C([C@@H]1[....
28 5NFA Kd = 5.6 uM 8VQ C24 H36 N2 O12 CC(=O)N[C@....
29 4LBK Kd = 0.32 uM GAL NAG GAL BGC n/a n/a
30 4RL7 - LAT C12 H22 O11 C([C@@H]1[....
31 3AYD Kd = 65 uM NPO A2G GAL n/a n/a
32 4LBN Kd = 0.65 uM GLC GAL NAG GAL n/a n/a
33 2D6N - GAL NAG n/a n/a
34 2D6M - LBT C12 H22 O11 C([C@@H]1[....
35 2D6O - NAG GAL GAL NAG n/a n/a
36 4XBN Kd = 93 uM GAL NAG n/a n/a
37 5H9R Kd = 0.84 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
38 5H9P Kd = 0.068 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
39 5DG2 - GAL GLC n/a n/a
40 5EWS - GAL BGC n/a n/a
41 4XBL Kd = 340 uM GAL NAG n/a n/a
42 4Y24 Kd = 0.22 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
43 3T2T - MQT C17 H22 O8 Cc1ccc(cc1....
44 3OY8 Kd = 220 uM GAL GCO n/a n/a
45 2EAL - GAL NGA A2G n/a n/a
46 2ZHL Kd = 3 uM NAG GAL GAL NAG n/a n/a
47 2ZHK Kd = 3 uM NAG GAL GAL NAG n/a n/a
48 2ZHN - NAG GAL NAG GAL GAL NAG n/a n/a
49 2ZHM - NAG GAL GAL NAG GAL n/a n/a
50 2EAK - LBT C12 H22 O11 C([C@@H]1[....
51 3WLU - LSE C18 H36 O10 Se Si C[Si](C)(C....
52 5H9S Kd = 87 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
53 5H9Q Kd = 38 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
54 4XBQ Kd = 270 uM GAL NAG n/a n/a
55 5T7S Kd = 3.1 uM LBT C12 H22 O11 C([C@@H]1[....
56 4BMB Ka = 13000 M^-1 LAT C12 H22 O11 C([C@@H]1[....
57 5T7I Kd = 0.33 uM LAT NAG GAL n/a n/a
58 3VKO - SIA GAL NAG n/a n/a
59 4BME Ka = 13000 M^-1 LBT C12 H22 O11 C([C@@H]1[....
60 5T7T Kd = 2.1 uM GAL NAG n/a n/a
61 3I8T Kd = 600 uM LBT C12 H22 O11 C([C@@H]1[....
62 3WV6 - GAL BGC n/a n/a
63 3NV2 - GAL NDG n/a n/a
64 3NV4 - SIA GAL BGC n/a n/a
65 3NV3 - GAL NAG MAN n/a n/a
66 3WUD Kd = 41 uM GLC GAL n/a n/a
67 3GAL - 1GN C6 H13 N O5 C([C@@H]1[....
68 4UW6 - VV7 C69 H73 N20 O39 [H]1c2c(cc....
69 2GAL - GAL C6 H12 O6 C([C@@H]1[....
70 4GAL - GAL BGC n/a n/a
71 4UW3 - 50G C31 H50 N10 O18 c1c(nnn1[C....
72 4UW4 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
73 3ZXE Kd = 450 uM PGZ C22 H28 N O8 P S Cc1ccc(cc1....
74 5GAL - NAG GAL n/a n/a
75 4UW5 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
76 1GAN - NDG GAL n/a n/a
77 1A78 - TDG C12 H22 O10 S C([C@@H]1[....
78 5DUW Kd = 510 uM 5GO C12 H22 O14 S C([C@@H]1[....
79 5DUV Kd = 1300 uM LAT C12 H22 O11 C([C@@H]1[....
80 5DUX Kd = 380 uM LAT FUC n/a n/a
81 4WVV - LBT C12 H22 O11 C([C@@H]1[....
82 4WVW - SLT C23 H39 N O19 CC(=O)N[C@....
83 4YLZ Kd = 270 uM LAT NAG GAL n/a n/a
84 5CBL - LAT C12 H22 O11 C([C@@H]1[....
85 4YM2 Kd = 1400 uM SGA BGC n/a n/a
86 4YM3 Kd = 1900 uM LAT C12 H22 O11 C([C@@H]1[....
87 4YM1 Kd = 580 uM LAT FUC n/a n/a
88 1IS4 - LAT C12 H22 O11 C([C@@H]1[....
89 1WLD - GAL BGC n/a n/a
90 5NFB Kd = 0.77 uM 8VT C30 H40 N2 O13 CC(=O)N[C@....
91 5NF7 Kd = 37.5 uM 8VZ C16 H28 N2 O11 CC(=O)N[C@....
92 1SLB - NAG MAN GAL MAN MAN NAG GAL n/a n/a
93 1SLT - NDG GAL n/a n/a
94 1SLA - NAG MAN GAL BMA NAG MAN NAG GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL NAG; Similar ligands found: 173
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NAG 1 1
2 NGA GAL 1 1
3 NAG GAL 1 1
4 NAG NGA 0.693548 0.9375
5 NAG MBG 0.693548 0.957447
6 NAG A2G 0.693548 0.9375
7 MAN NAG 0.66129 1
8 NAG GAL BGC 0.657143 1
9 NAG GAL GAL NAG GAL 0.652778 0.9375
10 CBS 0.640625 0.9375
11 CBS CBS 0.640625 0.9375
12 NAG NDG 0.640625 0.9375
13 NAG GDL 0.640625 0.9375
14 NGA GLA GAL BGC 0.635135 1
15 NAG GAL NAG 0.633803 0.9375
16 NAG MAN MAN MAN NAG 0.631579 0.9375
17 NGA GAL BGC 0.623188 1
18 FUC BGC GAL NAG 0.615385 0.978261
19 MBG A2G 0.606061 0.957447
20 A2G MBG 0.606061 0.957447
21 NAG NAG NAG NAG 0.602941 0.918367
22 NAG NAG NDG 0.602941 0.918367
23 NAG NAG 0.602941 0.846154
24 NAG NAG NAG NAG NDG NAG 0.602941 0.918367
25 NAG NAG NAG NAG NAG NAG 0.602941 0.918367
26 NAG NAG NAG NAG NDG 0.602941 0.918367
27 NDG NAG NAG NAG 0.602941 0.918367
28 NDG NAG NAG NDG NAG 0.602941 0.918367
29 NAG NAG NAG NDG 0.602941 0.918367
30 NAG NAG NAG NAG NAG NAG NAG NAG 0.602941 0.918367
31 NDG NAG NAG 0.602941 0.918367
32 NDG NAG NAG NDG 0.602941 0.918367
33 CTO 0.602941 0.918367
34 NAG NAG NAG NAG NAG 0.602941 0.918367
35 NAG NAG NAG 0.602941 0.918367
36 FUC GLA A2G 0.597222 0.978261
37 A2G GLA FUC 0.597222 0.978261
38 FUC GAL A2G 0.597222 0.978261
39 A2G GAL FUC 0.597222 0.978261
40 NGA GAL FUC 0.597222 0.978261
41 FUC GL0 A2G 0.597222 0.978261
42 NDG NAG 0.597015 0.918367
43 NAG MAN MMA 0.583333 0.957447
44 3QL 0.577465 0.865385
45 MAN MAN NAG 0.567568 0.957447
46 GAL NAG GAL FUC 0.564103 0.978261
47 GLA NAG GAL FUC 0.564103 0.978261
48 NAG MAN BMA 0.56 1
49 NAG MAN MAN 0.56 1
50 LB2 0.559322 0.733333
51 MAG 0.559322 0.893617
52 2F8 0.559322 0.893617
53 M3M 0.559322 0.733333
54 MAN GLC 0.559322 0.733333
55 BGC FUC GAL FUC A2G 0.548781 0.957447
56 GLC FUC GAL FUC A2G 0.548781 0.957447
57 FUC GAL NAG GAL FUC 0.536585 0.957447
58 AH0 NAG 0.532468 0.833333
59 NAG AMU 0.532468 0.9
60 NAG MUB 0.532468 0.9
61 NAG NGO 0.527027 0.865385
62 GN1 0.52381 0.75
63 NG1 0.52381 0.75
64 GLC GAL NAG GAL 0.518987 1
65 BGC BGC BGC GLC BGC BGC 0.515625 0.733333
66 BGC BGC BGC ASO BGC BGC ASO 0.515625 0.733333
67 BGC BGC BGC 0.515625 0.733333
68 GLC BGC BGC BGC BGC BGC BGC 0.515625 0.733333
69 BGC BGC BGC BGC BGC 0.515625 0.733333
70 GLC BGC BGC BGC 0.515625 0.733333
71 NAG NAG NAG NAG NAG NAG NAG 0.512195 0.833333
72 NAG BDP NAG BDP NAG BDP NAG 0.511905 0.9
73 NAG GCU NAG GCU NAG GCU 5AX 0.511905 0.9
74 3YW 0.507463 0.913043
75 MA8 0.507042 0.843137
76 NAG NM9 0.506494 0.882353
77 NAG GAL GAL NAG 0.506329 0.9375
78 GAL NAG GAL NAG GAL NAG 0.506329 0.918367
79 A2G GAL BGC FUC 0.505882 0.978261
80 NAG GAL 2NA 0.505495 0.882353
81 GAL NGA 0.5 1
82 A2G GAL 0.5 1
83 NOJ NAG NAG 0.5 0.833333
84 NOJ NAG NAG NAG 0.5 0.818182
85 NGT NAG 0.5 0.775862
86 GAL A2G 0.5 1
87 GAL NAG GAL BGC 0.493671 1
88 BGC GAL NAG GAL 0.493671 1
89 LAT NAG GAL 0.493671 1
90 GAL NGA A2G 0.493151 0.918367
91 BGC BGC GLC 0.492537 0.733333
92 A2G GAL NAG FUC 0.488372 0.918367
93 GAL NGA GLA BGC GAL 0.487805 1
94 DLD 0.4875 0.775862
95 TNR 0.485714 0.86
96 BMA MAN MAN 0.485294 0.733333
97 GLC GAL NAG GAL FUC A2G 0.484211 0.918367
98 A2G GAL NAG FUC GAL GLC 0.484211 0.918367
99 FUC BGC GAL NAG GAL 0.483146 0.978261
100 NAG MAN GAL MAN MAN NAG GAL 0.483146 0.9375
101 NAG AH0 0.481928 0.833333
102 LEC NGA 0.481928 0.703125
103 FUC GAL NAG A2G FUC 0.477273 0.918367
104 NAG GAL FUC FUC A2G 0.477273 0.918367
105 HSQ 0.474576 0.888889
106 NAG 0.474576 0.888889
107 NDG 0.474576 0.888889
108 A2G 0.474576 0.888889
109 BM3 0.474576 0.888889
110 NGA 0.474576 0.888889
111 SN5 SN5 0.472222 0.803922
112 GAL NAG MAN 0.467532 1
113 MAN NAG GAL 0.467532 1
114 P3M 0.465753 0.6
115 GYU 0.464789 0.767857
116 NAG NAG NGT 0.464286 0.762712
117 6Y2 0.464286 0.703125
118 GAL NAG GAL 0.4625 0.957447
119 NAG GAL GAL 0.460526 1
120 GLA GAL NAG 0.460526 1
121 MAN BMA NAG 0.460526 1
122 SIA GAL NGA 0.458333 0.865385
123 NDG GAL 0.457143 1
124 NLC 0.457143 1
125 GAL NDG 0.457143 1
126 WZ5 0.455556 0.957447
127 BGA 0.449438 0.818182
128 NAG AMU NAG AMV 0.448276 0.882353
129 MMA MAN NAG MAN NAG NAG 0.448276 0.9
130 NAG BMA NAG MAN MAN NAG NAG 0.447917 0.918367
131 CTO TMX 0.444444 0.775862
132 TCG 0.444444 0.775862
133 NAG NAG BMA MAN 0.443182 0.865385
134 3PV 0.443182 0.9
135 NAG NDG BMA 0.439024 0.865385
136 NAG NAG BMA 0.439024 0.865385
137 GAL NAG SIA GAL 0.438095 0.849057
138 SIA GAL NAG GAL 0.438095 0.849057
139 GAL MGC 0.43662 0.957447
140 AO3 0.433333 0.692308
141 NAG MAN BMA NDG MAN NAG GAL 0.43 0.918367
142 CGC 0.428571 0.733333
143 6ZC 0.428571 0.68254
144 LEC 0.428571 0.68254
145 SIA NAG GAL GAL 0.427184 0.849057
146 M5G 0.425743 0.9375
147 57S 0.425 0.741379
148 FUC NAG 0.424658 0.956522
149 FUC GAL NAG GAL BGC 0.423913 0.978261
150 GUM 0.423913 0.803571
151 NAG GAL FUC 0.419753 0.978261
152 DR3 0.419753 0.978261
153 NAA NAA AMI 0.419355 0.661765
154 NAG BMA 0.418919 0.897959
155 NAG NAG BMA MAN NAG 0.418367 0.849057
156 GYT 0.417722 0.762712
157 1GN ACY GAL ACY 1GN BGC GAL BGC 0.417582 0.9375
158 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.417582 0.9375
159 NAG NAG BMA MAN MAN NAG NAG 0.417476 0.849057
160 8VZ 0.416667 0.918367
161 SNG 0.415385 0.816327
162 UMG 0.414894 0.803571
163 AMU 0.414286 0.87234
164 NAG MU2 0.41 0.818182
165 ALA NAG AH0 DAL 0.408163 0.818182
166 NAG GDL PHJ 0.40625 0.737705
167 MAN MAN NAG MAN NAG 0.404255 0.9375
168 NAG NAG BMA MAN MAN 0.404255 0.9375
169 NAG BDP 0.402597 0.916667
170 GLA GAL NAG FUC GAL GLC 0.402062 0.978261
171 NAG AMU ALA DGL 0.401961 0.833333
172 GC4 NAG 0.4 0.916667
173 GLC GLC GLC GLC 0.4 0.733333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2D6M; Ligand: LBT; Similar sites found: 169
This union binding pocket(no: 1) in the query (biounit: 2d6m.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MTX PGT 0.0008226 0.48365 None
2 4MNS 2AX 0.003801 0.44766 None
3 5FQK 6NT 0.001189 0.44578 None
4 3ZO7 K6H 0.001421 0.43879 None
5 4K55 H6P 0.0006557 0.43422 None
6 4QRH 0O2 0.005424 0.43115 None
7 4ZSI GLP 0.008112 0.41519 None
8 2BOS GLA GAL 0.0009482 0.41465 None
9 1P0Z FLC 0.0005471 0.41181 None
10 4MLO PAM 0.01082 0.41166 None
11 1Y7P RIP 0.001046 0.40811 None
12 4ZSI 4R1 0.007376 0.40754 None
13 5A67 3PO 0.00791 0.40515 None
14 2BOS GLA GAL GLC 0.001401 0.40306 None
15 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.000002384 0.40532 1.76991
16 5N87 N66 0.001068 0.50637 1.88679
17 4YZC STU 0.001912 0.45922 1.88679
18 5W10 CMP 0.002761 0.44594 1.88679
19 5IXH OTP 0.01589 0.43091 1.88679
20 1MJJ HAL 0.00644 0.42604 1.88679
21 2X4Z X4Z 0.04159 0.41147 1.88679
22 3H22 B53 0.04721 0.40817 1.88679
23 4RYV ZEA 0.003528 0.44626 1.93548
24 3FW4 CAQ 0.002056 0.44068 2.24719
25 1U0A BGC BGC BGC BGC 0.00001998 0.53374 2.51572
26 5JSP DQY 0.00023 0.47802 2.51572
27 4L4J NAG NAG BMA MAN NAG 0.0003778 0.46725 2.51572
28 3AMN CBK 0.003279 0.44602 2.51572
29 3AMN CBI 0.003279 0.44602 2.51572
30 4D06 NAR 0.009616 0.4256 2.51572
31 1NYW DAU 0.002895 0.42229 2.51572
32 4NBW NAD 0.02591 0.40249 2.51572
33 1MEX RAC 0.007259 0.4021 2.51572
34 3ML5 AZM 0.008398 0.40069 2.51572
35 4WN5 MVC 0.0008604 0.45648 2.6087
36 5KJZ PCG 0.006663 0.42797 2.66667
37 5DKK FMN 0.005536 0.44545 2.75862
38 4H2V AMP 0.00007374 0.54781 3.14465
39 3AKK ADP 0.0005862 0.5018 3.14465
40 1IF7 SBR 0.007588 0.46625 3.14465
41 4XV1 904 0.004496 0.4599 3.14465
42 3SCH TB6 0.002248 0.43564 3.14465
43 3TYZ XHP 0.01518 0.42895 3.14465
44 2JIG PD2 0.004834 0.42121 3.14465
45 5J75 6GQ 0.002073 0.41786 3.14465
46 5FLJ QUE 0.01276 0.41085 3.14465
47 1DMY AZM 0.008113 0.40626 3.14465
48 5W2I I3P 0.03873 0.40433 3.14465
49 5W2I ADP 0.03873 0.40433 3.14465
50 4N9I PCG 0.04305 0.40188 3.14465
51 2HRL SIA GAL SIA BGC NGA CEQ 0.004384 0.40966 3.14961
52 5NCF 8T5 0.002529 0.42892 3.53982
53 1GP6 QUE 0.00005915 0.57562 3.77358
54 4Q0L V14 0.0008605 0.49436 3.77358
55 1GP6 DH2 0.001615 0.46493 3.77358
56 1GP6 SIN 0.001615 0.46493 3.77358
57 4N1T 2GD 0.00821 0.44933 3.77358
58 2QZ3 XYP XYP XYP 0.001488 0.44575 3.77358
59 4IGQ THR M3L GLN 0.003495 0.43111 3.77358
60 5IXG OTP 0.02895 0.4188 3.77358
61 4A4X JUP 0.01382 0.41582 3.77358
62 3NX2 FER 0.005907 0.41293 3.77358
63 1TIW TFB 0.02814 0.40994 3.77358
64 2BMB PMM 0.01708 0.40697 3.77358
65 2FXD DR7 0.005761 0.42659 4.0404
66 4P42 PEE 0.001113 0.46263 4.40252
67 5DEY 59T 0.004413 0.46072 4.40252
68 4OPC FDA 0.01508 0.4472 4.40252
69 5VC5 96M 0.005351 0.43618 4.40252
70 4P7X YCP 0.002987 0.43109 4.40252
71 4P7X AKG 0.002987 0.43109 4.40252
72 1VRP ADP 0.005255 0.42653 4.40252
73 4OCT AKG 0.00002092 0.42516 4.40252
74 2CET PGI 0.01194 0.42155 4.40252
75 4XIZ LPP 0.01529 0.4123 4.40252
76 5W0N UPU 0.007438 0.40851 4.40252
77 5MJA 7O3 0.03176 0.40351 4.40252
78 2P7Q GG6 0.006953 0.41349 4.51128
79 2WZ5 MET 0.0119 0.40374 4.57516
80 5OO5 UUA 0.0009153 0.46569 4.83871
81 5J8O 6GZ 0.007621 0.42099 4.83871
82 5FXD H7Y 0.0002336 0.51877 5.03145
83 1QY1 PRZ 0.0002958 0.49753 5.03145
84 3W8X FAD 0.001965 0.48924 5.03145
85 3W8X FTK 0.0003702 0.48924 5.03145
86 3ZMR GLO BGC BGC XYS BGC XYS XYS 0.002204 0.45701 5.03145
87 3JU6 ANP 0.001664 0.43892 5.03145
88 5DQ8 FLF 0.006389 0.43844 5.03145
89 2IUW AKG 0.00003142 0.43147 5.03145
90 5IH9 6BF 0.01221 0.42959 5.03145
91 5VNF VAL THR SER VAL VAL 0.001936 0.42751 5.03145
92 4QJP V1F 0.007576 0.42626 5.03145
93 5GXU FAD 0.03626 0.41737 5.03145
94 2WSA MYA 0.04596 0.41475 5.03145
95 2WSA 646 0.04596 0.41475 5.03145
96 5GM9 CBK 0.01806 0.41166 5.03145
97 1VJY 460 0.04688 0.40144 5.03145
98 4BVA T3 0.00004768 0.58337 5.66038
99 4P8K 38C 0.002387 0.48547 5.66038
100 1EM6 CP4 0.01123 0.48528 5.66038
101 3DLG GWE 0.004676 0.47968 5.66038
102 3E8T UQ8 0.004272 0.46588 5.66038
103 3T1A 5MA 0.002253 0.45249 5.66038
104 3Q8G PEE 0.00559 0.43776 5.66038
105 4IMO PWZ 0.001096 0.41056 5.66038
106 4G7A AZM 0.007305 0.40544 5.66038
107 5BU3 4W9 0.003065 0.43419 5.97826
108 2GJ5 VD3 0.004577 0.43908 6.28931
109 2PUL ACP 0.04461 0.41452 6.28931
110 5CKW ANP 0.009544 0.41108 6.28931
111 5HCF BGC 0.001527 0.40952 6.28931
112 4XYM A12 0.02293 0.40083 6.28931
113 4ZU4 4TG 0.001434 0.45539 6.75676
114 4ZLU 4PW 0.04659 0.40863 6.91824
115 4ZLU ADP 0.04659 0.40863 6.91824
116 5KF6 TFB 0.02672 0.4065 6.91824
117 5KF6 FAD 0.02672 0.4065 6.91824
118 4YHO 4CC 0.01579 0.40282 6.91824
119 3QRC SCR 0.000001531 0.56033 7.00637
120 4WOE ADP 0.00417 0.44141 7.54717
121 3AGC RCC 0.01296 0.42378 7.54717
122 5U6C 7YS 0.02691 0.41458 7.54717
123 4I54 1C1 0.02007 0.41283 7.54717
124 5N0F 7K2 0.01144 0.40881 7.54717
125 5FU3 BGC BGC BGC 0.0006453 0.40872 7.54717
126 2Q0D ATP 0.005379 0.45235 8.1761
127 1ZM1 BGC BGC BGC 0.0008324 0.44862 8.1761
128 1GQG DCD 0.002536 0.44785 8.1761
129 1M15 ARG 0.009454 0.44199 8.1761
130 1M15 ADP 0.009454 0.44199 8.1761
131 4NG2 OHN 0.00221 0.43843 8.1761
132 5W4W 9WG 0.02971 0.4011 8.1761
133 4TW7 37K 0.01593 0.4047 8.59375
134 1KGI T4A 0.001234 0.46672 8.66142
135 5EPQ OLA 0.0001442 0.51887 8.80503
136 4BVM PLM 0.009675 0.40684 9.02256
137 4BVM VCA 0.01031 0.40684 9.02256
138 5DXI TRE 0.003864 0.43695 9.43396
139 5H2D ERG 0.00464 0.436 9.43396
140 5H9Y BGC BGC BGC BGC 0.002715 0.42197 9.43396
141 1I82 BGC BGC 0.00006898 0.4438 10.0629
142 2I74 MAN MAN MAN MAN 0.0003702 0.41749 10.0629
143 4ZU5 THM 0.003514 0.42753 10.4167
144 5KWY C3S 0.01453 0.40158 10.6918
145 5FL5 82E 0.01147 0.40092 10.6918
146 4RFR RHN 0.007035 0.41694 11.3208
147 4L9I 8PR 0.01604 0.40952 11.3208
148 1UMZ BGC BGC XYS BGC XYS GAL 0.00004662 0.53706 11.8705
149 4NPL AKG 0.0001476 0.51667 11.9497
150 5ML3 DL3 0.0003308 0.51241 12.7517
151 4IPH 1FJ 0.01115 0.40222 13.8211
152 5ENQ 5QE 0.005684 0.44389 14.4654
153 5A89 FMN 0.02183 0.41704 14.7436
154 5LJB RTL 0.005552 0.43606 14.8148
155 4X6F 3XU 0.0114 0.44439 16.1905
156 4M1U A2G MBG 0.001169 0.44005 16.9811
157 5L2J 70E 0.04905 0.40521 17.3469
158 5A65 TPP 0.0001026 0.51898 18.239
159 5BVE 4VG 0.00123 0.494 18.239
160 3FON VAL ASN ASP ILE PHE GLU ALA ILE 0.01146 0.40871 20
161 3M3E GAL A2G NPO 0.000000001993 0.74791 20.1258
162 3ILR SGN 0.02316 0.40816 20.1258
163 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.003324 0.46338 20.202
164 4HWT 1B2 0.009094 0.40817 22.6415
165 5U98 1KX 0.03944 0.4229 23.2704
166 4NM5 ADP 0.03255 0.41919 29.1667
167 4J6W CTP 0.01636 0.40136 32.9268
168 3VV1 GAL FUC 0.00000000000271 0.92067 39.6226
169 1QKQ MAN 0.000000009183 0.72956 42.9577
Pocket No.: 2; Query (leader) PDB : 2D6M; Ligand: LBT; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 2d6m.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4XCB HY0 0.02112 0.41381 4.40252
2 1URX AAL GAL AAL GLA 0.006297 0.44103 5.03145
Pocket No.: 3; Query (leader) PDB : 2D6M; Ligand: LBT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2d6m.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2D6M; Ligand: LBT; Similar sites found: 30
This union binding pocket(no: 4) in the query (biounit: 2d6m.bio3) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EW9 5VC 0.001175 0.50422 None
2 4B7P 9UN 0.01024 0.4497 None
3 4CW5 FMN 0.02078 0.4073 1.88679
4 5BYZ 4WE 0.03309 0.40631 2.51572
5 5FI4 5XV 0.01365 0.40539 3.14465
6 1JGL EST 0.007282 0.40197 3.14465
7 5X7Q GLC GLC GLC GLC 0.005584 0.40025 3.14465
8 2XMY CDK 0.007681 0.44903 3.77358
9 3F7Z 34O 0.02659 0.41297 3.77358
10 4P25 FUC GAL NAG FUC 0.007533 0.40464 3.77358
11 4UWJ 7L5 0.03094 0.41761 4.40252
12 4UWJ MYA 0.03094 0.41761 4.40252
13 2IRY DGT 0.01388 0.40063 4.40252
14 1CZA G6P 0.0102 0.40443 5.03145
15 5KEW 6SB 0.0002768 0.42244 5.55556
16 1J3R 6PG 0.0008603 0.44387 5.66038
17 4ORM 2V6 0.02336 0.42383 5.66038
18 4ORM FMN 0.02336 0.42383 5.66038
19 4ORM ORO 0.02336 0.42383 5.66038
20 4KYS VIB 0.0006424 0.40045 6.28931
21 4WW7 AMP 0.02246 0.41885 6.91824
22 5LUN OGA 0.005095 0.41158 6.91824
23 4IGH FMN 0.001901 0.49092 8.80503
24 4IGH ORO 0.001901 0.49092 8.80503
25 4IGH 1EA 0.001901 0.49092 8.80503
26 5I0U DCY 0.009754 0.40058 9.43396
27 2Q7D ANP 0.035 0.40769 10.6918
28 3UH0 TSB 0.006462 0.42163 11.9497
29 4CLI 5P8 0.03983 0.40902 13.2075
30 5A89 ADP 0.02426 0.41338 14.7436
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