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Receptor
PDB id Resolution Class Description Source Keywords
4Y24 2.32 Å NON-ENZYME: BINDING COMPLEX OF HUMAN GALECTIN-1 AND TD-139 HOMO SAPIENS COMPLEX GALECTIN-1 TDG TD-139 SUGAR BINDING PROTEIN
Ref.: DUAL THIO-DIGALACTOSIDE-BINDING MODES OF HUMAN GALE THE STRUCTURAL BASIS FOR THE DESIGN OF POTENT AND S INHIBITORS. SCI REP V. 6 29457 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TD2 A:201;
B:201;
Valid;
Valid;
none;
none;
Kd = 0.22 uM
648.635 C28 H30 F2 N6 O8 S c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Y24 2.32 Å NON-ENZYME: BINDING COMPLEX OF HUMAN GALECTIN-1 AND TD-139 HOMO SAPIENS COMPLEX GALECTIN-1 TDG TD-139 SUGAR BINDING PROTEIN
Ref.: DUAL THIO-DIGALACTOSIDE-BINDING MODES OF HUMAN GALE THE STRUCTURAL BASIS FOR THE DESIGN OF POTENT AND S INHIBITORS. SCI REP V. 6 29457 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 4XBL Kd = 340 uM GAL NAG n/a n/a
2 4Y24 Kd = 0.22 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 4XBL Kd = 340 uM GAL NAG n/a n/a
2 4Y24 Kd = 0.22 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
3 3OYW Kd = 78 uM TDG C12 H22 O10 S C([C@@H]1[....
4 2ZKN - GAL BGC n/a n/a
5 3T2T - MQT C17 H22 O8 Cc1ccc(cc1....
6 3OY8 Kd = 220 uM GAL GCO n/a n/a
7 1SLC - NAG MAN GAL BMA NDG MAN NAG GAL n/a n/a
8 1SLB - NAG MAN GAL MAN MAN NAG GAL n/a n/a
9 1SLT - NDG GAL n/a n/a
10 1SLA - NAG MAN GAL BMA NAG MAN NAG GAL 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: TD2; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 TD2 1 1
2 TGZ 0.891892 0.96875
3 5KS 0.693333 1
4 9Q5 0.634615 0.861111
5 5KT 0.620253 0.920635
6 9SK 0.486726 0.861111
7 BKK 0.484536 0.938462
8 BKH 0.454545 0.938462
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Y24; Ligand: TD2; Similar sites found with APoc: 391
This union binding pocket(no: 1) in the query (biounit: 4y24.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1S4M LUM None
2 6D6L FY4 None
3 1UYY BGC BGC None
4 5EZU MYR None
5 1N07 FMN None
6 3KFF XBT None
7 3KFF ZBT None
8 3U7S 017 None
9 1R87 XYP XYP XYP None
10 3G6K POP None
11 3G6K FAD None
12 1DZK PRZ None
13 5B09 4MX None
14 6GNO XDI None
15 2BYC FMN None
16 3FW4 CAQ None
17 1KGI T4A None
18 2BOS GLA GAL None
19 2YC5 6BC None
20 1U0A BGC BGC BGC BGC 1.2987
21 3MVH WFE 1.2987
22 1QD1 FON 1.2987
23 5AYT L6Y 1.2987
24 5HCA BGC 1.2987
25 4QA8 PJZ 1.2987
26 5TPV TYD 1.30719
27 5ML3 DL3 1.34228
28 3TCT 3MI 1.5748
29 4K55 H6P 1.6129
30 1N5S ADL 1.78571
31 5VC5 96M 1.94805
32 5IXG OTP 1.94805
33 6FA4 D1W 1.94805
34 5C3R AKG 1.94805
35 5C3R HMU 1.94805
36 4ZSI 4R1 1.94805
37 3MTX PGT 1.98676
38 5FUI APY 2.27273
39 5N2F 8HW 2.41935
40 3TAY MN0 2.45399
41 4K3H 1OM 2.54237
42 5EW9 5VC 2.5974
43 5DQ8 FLF 2.5974
44 4L9Z COA 2.5974
45 4L9Z OXL 2.5974
46 1OLM VTQ 2.5974
47 3E9I XAH 2.5974
48 5EK3 5PK 2.5974
49 3M3R BCD 2.5974
50 5JKG 6LF 2.5974
51 4EE7 PIS 2.5974
52 1ZB6 GST 2.5974
53 4MZU TYD 2.5974
54 4ZU4 4TG 2.7027
55 4F4P 0SB 3.24675
56 2YG2 FLC 3.24675
57 2YG2 S1P 3.24675
58 5KD6 6C7 3.24675
59 2WSA MYA 3.24675
60 2WSA 646 3.24675
61 5NKB 8ZT 3.24675
62 5A89 FMN 3.24675
63 5A89 ADP 3.24675
64 3A7R LAQ 3.24675
65 1N1G BCP 3.24675
66 5MZI FAD 3.24675
67 5MZI FYK 3.24675
68 4FK7 P34 3.24675
69 3W68 VIV 3.24675
70 2CER PGI 3.24675
71 3N0Y APC 3.24675
72 3QPB URA 3.24675
73 4U0W 16G 3.24675
74 3O2K DST 3.24675
75 2J3M PRI 3.24675
76 3CQD ATP 3.24675
77 2J3M ATP 3.24675
78 1Y7P RIP 3.58744
79 3QRC SCR 3.8961
80 5FKP 6UL 3.8961
81 1GP6 SIN 3.8961
82 1GP6 QUE 3.8961
83 1GP6 DH2 3.8961
84 2YAK OSV 3.8961
85 2YNE NHW 3.8961
86 2YNE YNE 3.8961
87 4L3L 5FI 3.8961
88 3G08 FEE 3.8961
89 3LXK MI1 3.8961
90 4ORM 2V6 3.8961
91 4ORM FMN 3.8961
92 4ORM ORO 3.8961
93 3RJY GLC 3.8961
94 4MP8 MLI 3.8961
95 4MP8 NAD 3.8961
96 1EFY BZC 3.8961
97 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 3.8961
98 3QP8 HL0 3.8961
99 5EPQ OLA 3.8961
100 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 3.8961
101 4YGF AZM 3.8961
102 5UR6 8KM 3.8961
103 3OZ2 OZ2 3.8961
104 2AXR ABL 3.8961
105 4RYV ZEA 3.8961
106 4EWH T77 3.8961
107 4KS7 X4Z 3.8961
108 5KEW 6SB 4.16667
109 4YZC STU 4.54545
110 2XK9 XK9 4.54545
111 5HCY 60D 4.54545
112 4RF7 ARG 4.54545
113 4UWJ 7L5 4.54545
114 4UWJ MYA 4.54545
115 1KOR ANP 4.54545
116 1KOR ARG 4.54545
117 3E2M E2M 4.54545
118 1RE8 BD2 4.54545
119 1KOR SIN 4.54545
120 6C0T EE4 4.54545
121 2QL9 CIT 4.54545
122 2DKH 3HB 4.54545
123 1G51 AMO 4.54545
124 3CF6 SP1 4.54545
125 5W1E PHB 4.54545
126 4QCK ASD 4.54545
127 2JLD AG1 4.54545
128 3PP0 03Q 4.54545
129 1VRP ADP 4.54545
130 4QTB 38Z 4.54545
131 5F3I 5UJ 4.54545
132 4V24 GYR 4.54545
133 5XDT ZI7 4.54545
134 1OPK P16 4.54545
135 3FW3 ETS 4.54545
136 5LUN OGA 4.54545
137 5O3Q CMP 5
138 4MNS 2AX 5.19481
139 6D61 4AA 5.19481
140 2A1L PCW 5.19481
141 2Y88 2ER 5.19481
142 4Q0P 0MK 5.19481
143 2XMY CDK 5.19481
144 5KJW 53C 5.19481
145 1GPM AMP 5.19481
146 1EWF PC1 5.19481
147 1U6R ADP 5.19481
148 4WNK 453 5.19481
149 3B6R ADP 5.19481
150 5D9G GLU ASN LEU TYR PHE GLN 5.19481
151 3SJ7 NDP 5.19481
152 6GWR FEW 5.19481
153 4LA7 A1O 5.19481
154 5FNU L6I 5.19481
155 3VCA PRO 5.19481
156 3GL0 HXX 5.19481
157 4WVO 3UZ 5.19481
158 5HES 032 5.53746
159 2VDF OCT 5.84416
160 5BVE 4VG 5.84416
161 4GJ3 0XP 5.84416
162 1USF NAP 5.84416
163 4XV1 904 5.84416
164 5AE9 OKO 5.84416
165 5NEA 8V8 5.84416
166 3PVW QRX 5.84416
167 5VNF VAL THR SER VAL VAL 5.84416
168 5JSP DQY 5.84416
169 4CQE CQE 5.84416
170 2GQS C2R 5.84416
171 1ZM1 BGC BGC BGC 5.84416
172 4WOE ADP 5.84416
173 1TT8 PHB 5.84416
174 5Y72 DST 5.84416
175 1VA6 P2S 5.84416
176 1VA6 ADP 5.84416
177 1K97 ASP 5.84416
178 1K97 CIR 5.84416
179 4ZTD ALA GLY ALA GLY ALA 5.84416
180 6FXR AKG 5.84416
181 4D5B ACX 5.84416
182 1VBR XYS XYP 5.84416
183 3VRY B43 5.84416
184 1RYD GLC 5.84416
185 2OVW CBI 5.84416
186 4J7Q B7N 6.30631
187 5DRB 5FJ 6.49351
188 5N87 N66 6.49351
189 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 6.49351
190 5T8O 76Z 6.49351
191 5F6U 5VK 6.49351
192 5IVE 6E8 6.49351
193 3PG7 PTY 6.49351
194 3L8W XAN 6.49351
195 5W4W 9WG 6.49351
196 4KBA 1QM 6.49351
197 2HZQ STR 6.49351
198 2R5V HHH 6.49351
199 2CM4 RCL 6.66667
200 1GT4 UNA 6.91824
201 3WUG XYP 7.02875
202 1LFO OLA 7.03125
203 3NWQ 2NC 7.07071
204 6C8X BVR 7.07071
205 2FXD DR7 7.07071
206 4ONA UW1 7.14286
207 1ODM ASV 7.14286
208 3G5D 1N1 7.14286
209 2RG0 CTT 7.14286
210 5FBN 5WF 7.14286
211 2C49 ADN 7.14286
212 4KYS VIB 7.14286
213 1FH8 XYP XIF 7.14286
214 5J75 6GQ 7.14286
215 6A1G 9OL 7.14286
216 3JQ3 ADP 7.14286
217 3PUR 2HG 7.14286
218 1SQI 869 7.14286
219 2RFZ CTR 7.14286
220 4WW8 VD9 7.14286
221 3H7J PPY 7.14286
222 5FXD H7Y 7.14286
223 6FE1 V14 7.14286
224 2GC0 PAN 7.14286
225 5HA0 LTD 7.69231
226 3RWP ABQ 7.79221
227 1OUK 084 7.79221
228 6MPT C30 7.79221
229 1SDW IYT 7.79221
230 3VQ2 LP4 LP5 MYR DAO 7.79221
231 1PN0 IPH 7.79221
232 2VFT SOR 7.79221
233 5FM0 WAQ 7.79221
234 1X54 4AD 7.79221
235 2GJ5 VD3 7.79221
236 2XVD AS6 7.79221
237 4M1U MBG A2G 7.79221
238 2WEI VGG 7.79221
239 1GU3 BGC BGC BGC BGC BGC 8.05369
240 3MWS 017 8.08081
241 4F7E 0SH 8.16327
242 2P7Q GG6 8.27068
243 5DEY 59T 8.44156
244 1RJW ETF 8.44156
245 6C1S EFV 8.44156
246 3E8N VRA 8.44156
247 3E8N ATP 8.44156
248 3E85 BSU 8.44156
249 4WUP 3UF 8.44156
250 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 8.44156
251 2JDR L20 8.44156
252 3KYF 5GP 5GP 8.44156
253 4BG4 ADP 8.44156
254 1UNB AKG 8.44156
255 1DY4 SNP 8.44156
256 2VQ5 HBA 8.44156
257 1BHX ASP PHE GLU GLU ILE 8.44156
258 3KV5 OGA 8.44156
259 4N70 2HX 8.44156
260 4NPL AKG 8.44156
261 5X7Q GLC GLC GLC GLC GLC 8.44156
262 4HK8 XYP XYP XYP XYP XYP XYP 8.44156
263 1UNB PN1 8.44156
264 4TW7 37K 8.59375
265 1Y2F WAI 8.63309
266 3KV8 FAH 8.63309
267 4IPH 1FJ 8.94309
268 5UR1 YY9 9.09091
269 1GQG DCD 9.09091
270 2WA4 069 9.09091
271 3L9R L9R 9.09091
272 4OCT AKG 9.09091
273 3FON VAL ASN ASP ILE PHE GLU ALA ILE 9.09091
274 5LYH 7B8 9.09091
275 4ZH7 FUC GAL NAG GAL FUC 9.09091
276 4B7E OGA 9.09091
277 1PVN MZP 9.09091
278 1OFD FMN 9.09091
279 1OFD AKG 9.09091
280 1B3X XYP XYP XYP 9.09091
281 3L9R L9Q 9.09091
282 2Z77 HE7 9.35252
283 4FFG 0U8 9.74026
284 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 9.74026
285 4QMN DB8 9.74026
286 1REQ DCA 9.74026
287 1I82 BGC BGC 9.74026
288 4P25 FUC GAL NAG FUC 9.74026
289 4XIZ LPP 9.74026
290 5A5W GUO 9.74026
291 1QIN GIP 9.74026
292 3A23 GAL 9.74026
293 3GC8 B45 9.74026
294 4RFR RHN 9.74026
295 1MH5 HAL 9.74026
296 2XGT NSS 9.74026
297 5BU3 4W9 9.74026
298 3V8S 0HD 9.74026
299 4QDF 30Q 9.74026
300 6E08 NAP 9.74026
301 1MJJ HAL 9.74026
302 5IH9 6BF 10.3896
303 2AG4 LP3 10.3896
304 2AG4 OLA 10.3896
305 3PFG SAM 10.3896
306 3PFG TLO 10.3896
307 2PYW ADP 10.3896
308 3B1Q NOS 10.3896
309 4MOB ADP 10.3896
310 4X6F 3XU 10.4762
311 5FPX GLY SER SER HIS HIS HIS HIS HIS 10.6195
312 5XVG 8FX 11.039
313 4BJZ P3A 11.039
314 4BJZ FAD 11.039
315 4WHZ 3NL 11.039
316 3TTI KBI 11.039
317 4WW7 AMP 11.039
318 5DYO FLU 11.039
319 6EK3 OUL 11.039
320 4HWS 1B3 11.039
321 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 11.039
322 3FW9 SLX 11.039
323 5TV6 PML 11.039
324 5WL1 CUY 11.1111
325 5WL1 D3D 11.1111
326 5U98 1KX 11.1111
327 5TBM 79A 11.3043
328 1OFL NGK GCD 11.6883
329 4U03 TLL 11.6883
330 4U03 GTP 11.6883
331 2XG5 EC2 11.6883
332 2XG5 EC5 11.6883
333 5EQY 5RA 11.6883
334 3KL3 GCU 11.6883
335 3EKK GS2 11.6883
336 1ZIN AP5 11.6883
337 3IU9 T07 12.3377
338 5IXH OTP 12.3377
339 2AGC DAO 12.3377
340 1Z03 OCH 12.3377
341 2CDO GAL AAL GAL AAL GAL AAL 12.3377
342 4P5Z Q7M 12.3377
343 5W10 CMP 12.3377
344 3ESS 18N 12.3377
345 1NKI PPF 12.5926
346 3M3E GAL A2G NPO 12.987
347 3LVW GSH 12.987
348 5OX6 A1Z 12.987
349 5T9C G3P 12.987
350 5FU3 BGC BGC BGC 13.2075
351 4RT1 C2E 13.3929
352 4NV7 COA 13.6364
353 4J36 1HR 13.6364
354 4J36 FAD 13.6364
355 3MF2 AMP 13.6364
356 5E2N V14 13.6364
357 4FE2 AIR 13.6364
358 3UH0 TSB 13.6364
359 2IUW AKG 13.6364
360 2E56 MYR 13.8889
361 4LIT AKG 14.2857
362 3SCM LGN 14.2857
363 3QUZ QUV 14.2857
364 4BVA T3 14.9351
365 5C9J STE 15.5844
366 4NJH SAM 15.5844
367 4NJH 2K8 15.5844
368 1P0Z FLC 15.5844
369 1YKD CMP 16.2338
370 4Q5M ROC 16.2338
371 1QY1 PRZ 16.8831
372 3KA2 2NC 16.8831
373 1Q9I FAD 16.8831
374 1Q9I TEO 16.8831
375 2I6A 5I5 17.5325
376 6EHH 2GE 17.5325
377 3PQB VGP 18.1818
378 4C2V YJA 18.1818
379 5G41 AP5 19.4805
380 4P8K FAD 20.7792
381 4P8K 38C 20.7792
382 4WO4 JLS 21.4286
383 4C1W SLT 22.7273
384 1UMZ BGC BGC XYS BGC XYS GAL 23.3766
385 3A16 PXO 24.026
386 3RUG DB6 24.026
387 3HUJ AGH 24.026
388 3RGA LSB 26.6234
389 3VV1 GAL FUC 32.4675
390 4H2V AMP 35.7143
391 4WN5 MVC 38.2609
Pocket No.: 2; Query (leader) PDB : 4Y24; Ligand: TD2; Similar sites found with APoc: 152
This union binding pocket(no: 2) in the query (biounit: 4y24.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4J6W CTP None
2 1C4Q GLA GAL BGC None
3 1NFS DED None
4 2BOS GLA GAL GLC None
5 1YRX FMN None
6 1URX AAL GAL AAL GLA None
7 4R38 RBF None
8 2YIP YIO None
9 1EWJ BLM None
10 4HSJ 6PC None
11 5MBC FMN 1.2987
12 3ZXR P3S 1.94805
13 3KYG 5GP 5GP 1.94805
14 4ZSI GLP 1.94805
15 3ZXR IQ1 1.94805
16 5KWY C3S 1.94805
17 1RKX NAD 1.94805
18 1ZB6 DIN 2.5974
19 4UBT 3G6 2.5974
20 3Q60 ATP 2.5974
21 4NFN 2KC 2.5974
22 4ZU5 THM 2.77778
23 1X0P FAD 2.7972
24 4NJS G08 3.0303
25 4M8X KGQ 3.0303
26 3PE2 E1B 3.24675
27 5KD6 LBU 3.24675
28 1V08 NTZ 3.24675
29 4L9I 8PR 3.24675
30 6BFN DL1 3.24675
31 1NYW DAU 3.24675
32 5N0L ILE 3.24675
33 2HFN FMN 3.26797
34 3BJK CIT 3.26797
35 1M15 ARG 3.8961
36 1M15 ADP 3.8961
37 4DXD 9PC 3.8961
38 5TA6 79D 3.8961
39 1ZDQ MSM 3.8961
40 6FNU FAD 3.8961
41 4NG2 OHN 3.8961
42 4NU0 AP5 3.8961
43 4ITH RCM 4.08163
44 3NCQ ATP 4.20168
45 2J9D ADP 4.20168
46 3OV6 MK0 4.54545
47 2GU8 796 4.54545
48 3K4Z CBI 4.54545
49 1VJY 460 4.54545
50 5VAD 91Y 4.54545
51 4NW6 2NS 4.54545
52 2DIO EOD 4.54545
53 2E5A LAQ 4.54545
54 5VAD PRO 4.54545
55 5EIB GTP 4.54545
56 1I7E IBS 4.54545
57 2R5T ANP 4.54545
58 2ZMF CMP 4.54545
59 3RYC GTP 4.54545
60 2QF7 AGS 4.54545
61 3L0E G58 4.54545
62 5UIU 8CG 4.54545
63 1SIV PSI 5.05051
64 4EUO ABU 5.19481
65 5DXT 5H5 5.19481
66 6ALW BNV 5.19481
67 1F52 ADP 5.19481
68 6ALW BMJ 5.19481
69 1F5F DHT 5.19481
70 5LPZ ADP 5.19481
71 5EOB 5QQ 5.84416
72 3F5K CE5 5.84416
73 3TKI S25 5.84416
74 3OZV FAD 5.84416
75 4H3P ANP 5.84416
76 3EPO MP5 5.84416
77 4Y8D 49J 6.42857
78 1OX5 1PR 6.49351
79 4FHD EEM 6.49351
80 4FHD 0TT 6.49351
81 5OM2 DXT 6.49351
82 3AGC RCC 6.49351
83 5OKG XYT 6.49351
84 1U1F 183 6.49351
85 1GCK ASP PLP 6.49351
86 4OPC PGT 7.14286
87 4OPC FDA 7.14286
88 3IGO ANP 7.14286
89 2ART LPA AMP 7.14286
90 2BJU IH4 7.14286
91 2YKL NLD 7.14286
92 1TV5 FMN 7.14286
93 4M1U A2G MBG 7.79221
94 2ZYJ PGU 7.79221
95 2TPS TPS 7.79221
96 3GLC R5P 7.79221
97 5UMY TNN 7.85714
98 6GBV FMN 8.21918
99 4NS0 PIO 8.27068
100 4MKF AP5 8.29493
101 3RI1 3RH 8.44156
102 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 8.44156
103 3CV3 UDP 8.44156
104 3SLS ANP 8.44156
105 5C03 AGS 8.44156
106 3BRN SRO 8.44156
107 5XIJ ANP 8.44156
108 5XIJ 873 8.44156
109 4S28 SAH 8.44156
110 4S28 AIR 8.44156
111 3VHE 42Q 8.44156
112 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 9.09091
113 5ENQ 5QE 9.09091
114 3VZS CAA 9.74026
115 3VZS NAP 9.74026
116 2RKV ZBA 9.74026
117 1KHZ ADV 9.74026
118 4MUV PCG 9.85915
119 4JH6 FCN 10.1449
120 1IA9 ANP 10.3896
121 1TFZ 869 10.3896
122 5SVV FMN 10.9489
123 4H6B 10X 11.039
124 5XLY C2E 12.0301
125 4PFC 2QX 12.3377
126 5Y4R C2E 12.3377
127 2JG1 TA6 12.3377
128 3E7O 35F 12.987
129 5KO1 6UY 12.987
130 3HQR OGA 12.987
131 5EYK 5U5 13.5593
132 3A5Y KAA 13.6364
133 3CMJ SRT 13.6364
134 4X9X OLA 13.6364
135 3UG4 AHR 13.6364
136 2Q0D ATP 13.6364
137 5H9Y BGC BGC BGC BGC 13.6364
138 5YBN AKG 13.6364
139 5EJL C2E 13.6364
140 3RFA SAM 13.6364
141 6G9I CXX 13.6364
142 2RDE C2E 13.6364
143 3FP0 FP0 14.2857
144 1UU6 BGC BGC BGC BGC 15.5844
145 3VMG 9CA 16.5217
146 2RHQ GAX 16.8831
147 3UN3 G16 16.8831
148 3DLG GWE 17.5325
149 2G30 ALA ALA PHE 18.8312
150 5HZX 2GE 18.8312
151 5NBW 8SK 20.1299
152 5WO4 B7V 26.6234
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