-->
Receptor
PDB id Resolution Class Description Source Keywords
1A78 2 Å NON-ENZYME: BINDING COMPLEX OF TOAD OVARY GALECTIN WITH THIO-DIGALACTOSE BUFO ARENARUM S-LECTIN CARBOHYDRATE BINDING COMPLEX (LECTIN/SACCHARIDE)
Ref.: SOLUBLE BETA-GALACTOSYL-BINDING LECTIN (GALECTIN) FROM TOAD OVARY: CRYSTALLOGRAPHIC STUDIES OF TWO PROTEIN-SUGAR COMPLEXES PROTEINS V. 40 378 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DTT A:136;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C([C@...
TDG A:135;
B:135;
Valid;
Valid;
none;
none;
submit data
358.362 C12 H22 O10 S C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1A78 2 Å NON-ENZYME: BINDING COMPLEX OF TOAD OVARY GALECTIN WITH THIO-DIGALACTOSE BUFO ARENARUM S-LECTIN CARBOHYDRATE BINDING COMPLEX (LECTIN/SACCHARIDE)
Ref.: SOLUBLE BETA-GALACTOSYL-BINDING LECTIN (GALECTIN) FROM TOAD OVARY: CRYSTALLOGRAPHIC STUDIES OF TWO PROTEIN-SUGAR COMPLEXES PROTEINS V. 40 378 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1GAN - NDG GAL n/a n/a
2 1A78 - TDG C12 H22 O10 S C([C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 3WUD Kd = 41 uM GLC GAL n/a n/a
2 1GAN - NDG GAL n/a n/a
3 1A78 - TDG C12 H22 O10 S C([C@@H]1[....
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: TDG; Similar ligands found: 30
No: Ligand ECFP6 Tc MDL keys Tc
1 1LL 1 1
2 TDG 1 1
3 TCB 0.568182 0.971429
4 GLC SGC 0.568182 0.971429
5 IPT 0.552632 0.810811
6 GLC MA1 0.543478 1
7 SGC SGC BGC 0.520833 0.971429
8 GS1 GLC GS1 0.520833 0.971429
9 SMD 0.520833 0.894737
10 WZ1 0.510204 0.894737
11 GLC SSG SSG SGC 0.5 1
12 BGC SSG SSG SGC MA3 0.471698 0.894737
13 GLC SSG SGC SGC MA3 0.471698 0.894737
14 BGC SGC SGC GTM 0.471698 0.894737
15 YDR 0.428571 0.971429
16 MSX MAN 0.428571 0.944444
17 HTG 0.42 0.744186
18 SOG 0.411765 0.744186
19 WZ2 0.409836 0.894737
20 7K2 0.407407 0.75
21 MAN 0.405405 0.771429
22 GLA 0.405405 0.771429
23 ALL 0.405405 0.771429
24 GLC 0.405405 0.771429
25 BGC 0.405405 0.771429
26 GAL 0.405405 0.771429
27 GIV 0.405405 0.771429
28 GXL 0.405405 0.771429
29 BMA 0.405405 0.771429
30 WOO 0.405405 0.771429
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1A78; Ligand: TDG; Similar sites found with APoc: 473
This union binding pocket(no: 1) in the query (biounit: 1a78.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1N5S ADL None
2 4ZSI 4R1 None
3 1I82 BGC BGC None
4 4NPL AKG None
5 4ZSI GLP None
6 2YG2 S1P None
7 2YG2 FLC None
8 5NIU 8YZ None
9 4IAW LIZ None
10 3FW4 CAQ None
11 1GT4 UNA None
12 5N2F 8HW None
13 3ZO7 K6H None
14 3BJK CIT None
15 5B09 4MX None
16 1M15 ADP None
17 1M15 ARG None
18 2HFN FMN None
19 5OCG 9R5 None
20 3THR C2F None
21 6FA4 D1W None
22 4K55 H6P None
23 3L5R 47X None
24 1YRX FMN None
25 3MJH GTP None
26 3SBD GNP None
27 5LHT TIH None
28 4P86 5GP None
29 4NTK ZSP None
30 5N2D 8J8 None
31 4D06 NAR None
32 2Y8E GNP None
33 1TU3 GNP None
34 3ZZL TRP None
35 2V58 LZJ None
36 1HE1 GDP None
37 1CLU DBG None
38 3OJI PYV None
39 1OPB RET 1.49254
40 5DQ8 FLF 1.49254
41 5LJB RTL 1.49254
42 3JU6 ANP 1.49254
43 1NYW DAU 1.49254
44 1TT8 PHB 2.23881
45 4IGH ORO 2.23881
46 4IGH 1EA 2.23881
47 4IGH FMN 2.23881
48 1QIN GIP 2.23881
49 3QRC SCR 2.23881
50 5EO8 TFU 2.23881
51 1UUO BRF 2.23881
52 1UUO FMN 2.23881
53 1UUO ORO 2.23881
54 3QT6 2P0 2.23881
55 1Q79 3AT 2.23881
56 3STD MQ0 2.23881
57 3E85 BSU 2.23881
58 4BG4 ADP 2.23881
59 5MJA 7O3 2.23881
60 1URX AAL GAL AAL GLA 2.23881
61 4ZLU 4PW 2.23881
62 4ZLU ADP 2.23881
63 5O9W AKG 2.23881
64 5BV6 35G 2.23881
65 2J7T 274 2.23881
66 3T64 DU3 2.23881
67 3KFF XBT 2.23881
68 3KFF ZBT 2.23881
69 1Z0J GTP 2.23881
70 4F4P 0SB 2.23881
71 1EWJ BLM 2.38095
72 4WN5 MVC 2.6087
73 4KYS VIB 2.98507
74 2VFT SOR 2.98507
75 5IH9 6BF 2.98507
76 5OX6 A1Z 2.98507
77 3OZ2 OZ2 2.98507
78 1VYF OLA 2.98507
79 5F2T PLM 2.98507
80 2XVD AS6 2.98507
81 3QP8 HL0 2.98507
82 1GQG DCD 2.98507
83 2XXP DSL 2.98507
84 2C78 PUL 2.98507
85 5GP0 GPP 2.98507
86 3AGC RCC 2.98507
87 4S3F 43W 2.98507
88 1QCA FUA 2.98507
89 1YVD GNP 2.98507
90 2NZ2 CIR 2.98507
91 3II1 BGC 2.98507
92 3ZJX BOG 2.98507
93 3PFD FDA 2.98507
94 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 2.98507
95 5KEW 6SB 3.19149
96 5AIG VPR 3.2
97 4K3H 1OM 3.38983
98 2C5L GTP 3.4188
99 5NKB 8ZT 3.73134
100 3N0Y APC 3.73134
101 5EPQ OLA 3.73134
102 6D61 4AA 3.73134
103 1UNB AKG 3.73134
104 1UNB PN1 3.73134
105 4U03 TLL 3.73134
106 4U03 GTP 3.73134
107 5EQU 5R6 3.73134
108 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 3.73134
109 2ZMF CMP 3.73134
110 2AXR ABL 3.73134
111 5TA6 79D 3.73134
112 3PG7 PTY 3.73134
113 4OFG PCG 3.73134
114 5H2U 1N1 3.73134
115 4WTR BGC BGC 3.73134
116 2YNE YNE 3.73134
117 2YNE NHW 3.73134
118 3NW7 LGV 3.73134
119 4YGF AZM 3.73134
120 5VAD PRO 3.73134
121 2R5V HHH 3.73134
122 2Z77 HE7 3.73134
123 4MJ0 BGC SIA SIA GAL 3.73134
124 1ZC3 GNP 3.73134
125 4MJ0 SIA SIA 3.73134
126 5GNX BGC 3.73134
127 2E40 LGC 3.73134
128 5OO5 UUA 4.03226
129 2BOS GLA GAL 4.41176
130 2BOS GLA GAL GLC 4.41176
131 5NCF 8T5 4.42478
132 5UR6 8KM 4.47761
133 6D6W GCU 4.47761
134 6EWZ APC 4.47761
135 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 4.47761
136 4OPC FDA 4.47761
137 4OPC PGT 4.47761
138 5A65 TPP 4.47761
139 4CLI 5P8 4.47761
140 3HMO STU 4.47761
141 4CSV STI 4.47761
142 1ZB6 DIN 4.47761
143 1ZB6 GST 4.47761
144 2RG0 CBI 4.47761
145 3KDJ A8S 4.47761
146 4QXB OGA 4.47761
147 2ART LPA AMP 4.47761
148 2FR3 REA 4.47761
149 5Y72 DST 4.47761
150 4M1U A2G MBG 4.47761
151 1VRP ADP 4.47761
152 1K97 CIR 4.47761
153 1K97 ASP 4.47761
154 3AXX CBI 4.47761
155 2ZYI STE 4.47761
156 2BMB PMM 4.47761
157 5YU3 NAD 4.47761
158 5YU3 PRO 4.47761
159 3VHE 42Q 4.47761
160 4D1J DGJ 4.47761
161 3RGA LSB 4.47761
162 2F3R G5P 4.47761
163 1ZD9 GDP 4.47761
164 5ML3 DL3 4.47761
165 4IGQ THR M3L GLN 4.47761
166 3H5N ATP 4.47761
167 3X1Z GNP 4.47761
168 3LVW GSH 4.47761
169 3PP0 03Q 4.47761
170 2E0P CTT 4.47761
171 1U6R ADP 4.47761
172 4QM9 CYS 4.47761
173 5KWY C3S 4.51128
174 3DJV C3P 4.83871
175 5TBM 79A 5.12821
176 1UMZ BGC BGC XYS BGC XYS GAL 5.22388
177 3PFG SAM 5.22388
178 3PFG TLO 5.22388
179 1U0A BGC BGC BGC BGC 5.22388
180 1GP6 SIN 5.22388
181 1GP6 DH2 5.22388
182 1GP6 QUE 5.22388
183 1OPK P16 5.22388
184 5BVE 4VG 5.22388
185 5JFS 6K0 5.22388
186 6GNO XDI 5.22388
187 3E2M E2M 5.22388
188 1KOR ANP 5.22388
189 1KOR SIN 5.22388
190 5N87 N66 5.22388
191 5IXG OTP 5.22388
192 5FP3 3JI 5.22388
193 3TAY MN0 5.22388
194 5EH0 5NW 5.22388
195 1KOR ARG 5.22388
196 3H7J PPY 5.22388
197 5AYI BGC 5.22388
198 4CPZ ZMR 5.22388
199 4RFM 3P6 5.22388
200 3HAZ FAD 5.22388
201 1YKD CMP 5.22388
202 2FCU AKG 5.22388
203 4RGA 3PV 5.22388
204 3RI1 3RH 5.22388
205 1Q6O LG6 5.22388
206 6CDG PRO GLY LEU TRP LYS SER 5.22388
207 3PIJ FRU 5.22388
208 1M0W ANP 5.22388
209 4FFG LBS 5.22388
210 2Z5Y HRM 5.22388
211 4DOL PLM 5.22388
212 3W68 VIV 5.22388
213 2WKQ GTP 5.22388
214 3VRY B43 5.22388
215 1EX7 5GP 5.22388
216 5DKK FMN 5.22388
217 4CQE CQE 5.22388
218 6CLV 6MB 5.22388
219 6D5V GNP 5.22388
220 3AAQ ARU 5.22388
221 1OGX EQU 5.34351
222 3MF2 AMP 5.97015
223 5YBN AKG 5.97015
224 4NV7 COA 5.97015
225 4H2X G5A 5.97015
226 3GC8 B45 5.97015
227 4HWS 1B3 5.97015
228 4AG8 AXI 5.97015
229 1Z03 OCH 5.97015
230 4QRH 0O2 5.97015
231 1ERB ETR 5.97015
232 6MPT C30 5.97015
233 2BWA GLC BGC 5.97015
234 2RDQ AKG 5.97015
235 3PUR 2HG 5.97015
236 1TOI HCI 5.97015
237 1AJ0 SAN 5.97015
238 1AJ0 PH2 5.97015
239 5AYT L6Y 5.97015
240 4QDC ASD 5.97015
241 3QFA FAD 5.97015
242 5FQK 6NT 5.97015
243 5W4W 9WG 5.97015
244 4IZY 1J2 5.97015
245 5H9Y BGC BGC BGC BGC 5.97015
246 3B1Q NOS 5.97015
247 4ASE AV9 5.97015
248 2Y5S 78H 5.97015
249 2AGC DAO 5.97015
250 4L8V NAP 5.97015
251 1X0P FAD 5.97015
252 3MHA Z69 5.97015
253 4KBA 1QM 5.97015
254 6G9I CXX 5.97015
255 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 6
256 4WO4 JLS 6
257 1N1D C2G 6.20155
258 1KGI T4A 6.29921
259 3DLG GWE 6.71642
260 2I74 MAN MAN MAN MAN 6.71642
261 2WA4 069 6.71642
262 5U98 1KX 6.71642
263 5JSP DQY 6.71642
264 4RFR RHN 6.71642
265 1EM6 CP4 6.71642
266 1ZM1 BGC BGC BGC 6.71642
267 1DZK PRZ 6.71642
268 3ZXR P3S 6.71642
269 1P7L SAM 6.71642
270 1P7L PPK 6.71642
271 3ZXR IQ1 6.71642
272 1P7L ANP 6.71642
273 3TYZ PAB 6.71642
274 3TYZ XHP 6.71642
275 5VNF VAL THR SER VAL VAL 6.71642
276 1ST0 GTG 6.71642
277 2VL8 CTS 6.71642
278 3KH5 ADP 6.71642
279 4XCB HY0 6.71642
280 3MPB FRU 6.71642
281 4H6B 10X 6.71642
282 3KAL ADP 6.71642
283 1TFZ 869 6.71642
284 3W8X FAD 6.71642
285 6CC0 EWM 6.71642
286 1E96 GTP 6.71642
287 4B7E OGA 6.71642
288 5KF6 TFB 6.71642
289 5KF6 FAD 6.71642
290 4P25 FUC GAL NAG FUC 6.71642
291 3VZS NAP 6.71642
292 4RYV ZEA 6.71642
293 5ZZO FLC 6.71642
294 1R5L VIV 6.71642
295 3A6T 8OG 6.97674
296 4H2V AMP 7.27273
297 5FXD H7Y 7.46269
298 1KQW RTL 7.46269
299 2Y6O 1N1 7.46269
300 4MLO PAM 7.46269
301 5DS8 GLY 5CT GLY ALA 7.46269
302 5KJZ PCG 7.46269
303 3BZ3 YAM 7.46269
304 1LVG 5GP 7.46269
305 5DUB GLY 5GG GLY ALA 7.46269
306 4ZU4 4TG 7.46269
307 5JKG 6LF 7.46269
308 4IE6 UN9 7.46269
309 1F3D TPM 7.46269
310 1NE6 SP1 7.46269
311 4A4X JUP 7.46269
312 1SQI 869 7.46269
313 2WXD E18 7.46269
314 2TPS TPS 7.46269
315 4OCX MT1 7.46269
316 4O1P ANP 7.46269
317 4IMO PWZ 7.46269
318 2HKA C3S 7.69231
319 4LA7 A1O 8.20895
320 2AG4 LP3 8.20895
321 2AG4 OLA 8.20895
322 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 8.20895
323 2A1L PCW 8.20895
324 3UN3 G16 8.20895
325 5HA0 LTD 8.20895
326 4OAV ACP 8.20895
327 4RF7 ARG 8.20895
328 3A5Z KAA 8.20895
329 4KVG GTP 8.20895
330 5FBN 5WF 8.20895
331 3VOT ADP 8.20895
332 4RD0 GDP 8.20895
333 2GJ5 VD3 8.95522
334 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 8.95522
335 4U0W 16G 8.95522
336 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 8.95522
337 4MNS 2AX 8.95522
338 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 8.95522
339 2E56 MYR 8.95522
340 3CMJ SRT 8.95522
341 5ZM4 9FU 8.95522
342 5ZM4 AKG 8.95522
343 2WSA MYA 8.95522
344 2WSA 646 8.95522
345 4HK8 XYP XYP XYP XYP XYP XYP 8.95522
346 3CQD ATP 8.95522
347 2CM4 RCL 8.95522
348 5BU3 4W9 8.95522
349 3BXO UPP 8.95522
350 3OF1 CMP 8.95522
351 5JJU AMP 8.95522
352 4P8K 38C 8.95522
353 4P8K FAD 8.95522
354 2QL9 CIT 8.95522
355 5J75 6GQ 8.95522
356 4BVM PLM 9.02256
357 4BVM VCA 9.02256
358 2YKL NLD 9.25926
359 5FU3 BGC BGC BGC 9.43396
360 1ODM ASV 9.70149
361 3PQB VGP 9.70149
362 1OLM VTQ 9.70149
363 1MH5 HAL 9.70149
364 5LXT GTP 9.70149
365 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 9.70149
366 4OMJ 2TX 9.70149
367 4J7H TRH 9.70149
368 4QDF 30Q 9.70149
369 4OCT AKG 9.70149
370 4WUP 3UF 9.70149
371 5VC5 96M 10.4478
372 3OGV PTQ 10.4478
373 3MTX PGT 10.4478
374 4MP8 NAD 10.4478
375 4MP8 MLI 10.4478
376 5IXH OTP 10.4478
377 1VA6 P2S 10.4478
378 1VA6 ADP 10.4478
379 3ETH ATP 10.4478
380 3RJY GLC 10.4478
381 5XEG AKG 10.4478
382 4WOE ADP 10.4478
383 4HDQ GNP 10.4478
384 1S4M LUM 10.4478
385 4IEN GDP 10.4478
386 5FLJ QUE 10.4478
387 1V08 NTZ 10.4478
388 2YGN PCF 10.4478
389 4HDO GNP 10.4478
390 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 10.4478
391 4ZU5 THM 10.4478
392 4FAJ LEU VAL THR LEU VAL PHE VAL 10.4478
393 2NGR GDP 10.4478
394 2JEN GLC GLC BGC XYS BGC XYS 10.4478
395 4YZC STU 10.4478
396 4TW7 37K 10.9375
397 3FON VAL ASN ASP ILE PHE GLU ALA ILE 11
398 3G08 FEE 11.1111
399 5FKP 6UL 11.1111
400 3RUG DB6 11.1111
401 3QUZ QUV 11.1111
402 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 11.1111
403 5UC4 83S 11.194
404 5EW9 5VC 11.194
405 5W0N UPU 11.194
406 5HES 032 11.194
407 3VSV XYP 11.194
408 4QCK ASD 11.194
409 2R0N TGC 11.194
410 2PVN P63 11.194
411 3L9R L9Q 11.2245
412 2CET PGI 11.9403
413 5XQW 8EU 11.9403
414 2Q0D ATP 11.9403
415 4LHW GNP 11.9403
416 5H2D ERG 11.9403
417 3TNF GNP 11.9403
418 2PFC PLM 11.9403
419 3QBT GNP 11.9403
420 3WYF GTP 11.9403
421 5VCV 1N1 12.6866
422 4RW3 IPD 12.6866
423 5TPV TYD 12.6866
424 3EKK GS2 12.6866
425 4WW7 AMP 12.6866
426 2HZQ STR 12.6866
427 3GL0 HXX 12.6866
428 6E08 NAP 13.4328
429 4P5Z Q7M 13.4328
430 4BVA T3 13.4328
431 4ZZE GLC GLC GLC 13.4328
432 4PTX BGC 14.1791
433 5DXI TRE 14.1791
434 1MFD GLA MMA ABE 14.1791
435 4PIV 2W4 14.9254
436 2GC0 PAN 14.9254
437 5DX9 T6P 14.9254
438 5X7Q GLC GLC GLC GLC GLC 14.9254
439 3SXS PP2 14.9254
440 4ORM 2V6 15.6716
441 4ORM FMN 15.6716
442 4ORM ORO 15.6716
443 5MZI FAD 15.6716
444 5MZI FYK 15.6716
445 5ZTN CUR 16.4179
446 1ZNY GDP 16.4179
447 1SDW IYT 16.4179
448 2AMV BIN 17.9104
449 1LFO OLA 17.9688
450 1SJD NPG 18.6567
451 1XC6 GAL 18.6567
452 1UAD GNP 19.1919
453 1X7D ORN 19.403
454 3KPB SAM 19.6721
455 3VQ2 LP4 LP5 MYR DAO 20.1493
456 2G37 FAD 20.8955
457 5M42 FMN 20.8955
458 2CHN NGT 20.8955
459 5LUN ARG 20.8955
460 5LUN OGA 20.8955
461 2J3M ATP 21.6418
462 2OBD 2OB 21.6418
463 4USF 6UI 21.6418
464 4D5B ACX 22.3881
465 4J36 FAD 22.3881
466 4J36 1HR 22.3881
467 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 23.1343
468 5FPX GLY SER SER HIS HIS HIS HIS HIS 25.6637
469 5W10 CMP 27.6119
470 5NBW 8SK 28.3582
471 3VV1 GAL FUC 32.8358
472 3M3E GAL A2G NPO 35.0746
473 5H5A 6OU 35.0746
Pocket No.: 2; Query (leader) PDB : 1A78; Ligand: TDG; Similar sites found with APoc: 127
This union binding pocket(no: 2) in the query (biounit: 1a78.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1B55 4IP None
2 4EES FMN None
3 4WUJ FMN None
4 1NWW HPN None
5 5SVV FMN None
6 2IRY DGT None
7 4TWL ASC 2.23881
8 4Q5M ROC 2.23881
9 3FSM 2NC 2.23881
10 5N0L ILE 2.23881
11 3KA2 2NC 2.23881
12 2V5X V5X 2.23881
13 2IYA UDP 2.23881
14 4X5S AZM 2.23881
15 4NZN ANP 2.98507
16 4NZN 2OU 2.98507
17 5E2N V14 2.98507
18 1ECE BGC BGC BGC BGC 2.98507
19 2FXD DR7 3.0303
20 3S43 478 3.0303
21 3NWQ 2NC 3.0303
22 6C8X BVR 3.0303
23 1P0Z FLC 3.05344
24 2QZT PLM 3.6036
25 3FC2 IBI 3.73134
26 6EOZ AKG 3.73134
27 3LPF Z77 3.73134
28 4HSJ 6PC 3.73134
29 5HXI FAD 3.73134
30 5HXI 5HN 3.73134
31 6FYZ EBE 3.73134
32 5UQK U2F 3.73134
33 3L8W XAN 3.73134
34 3MMH SME 3.73134
35 5VAD 91Y 3.73134
36 1DMY AZM 3.73134
37 4LCQ URQ 3.73134
38 4B0T ADP 3.73134
39 4MN7 SME 3.73134
40 5IH1 6BQ 4.47761
41 2UVF AD0 4.47761
42 3B6R ADP 4.47761
43 4G7A AZM 4.47761
44 2V0U FMN 4.47761
45 3FW3 ETS 4.47761
46 2JIG PD2 4.47761
47 6GIN IR2 4.47761
48 5A3T MMK 4.47761
49 2OFV 242 4.47761
50 3MQG ACO 4.47761
51 3AJH BL3 4.47761
52 2CER PGI 5.22388
53 4XV1 904 5.22388
54 2R09 4IP 5.22388
55 6F4T OGA 5.22388
56 1CZA G6P 5.22388
57 2R0D 4IP 5.22388
58 6GBV FMN 5.22388
59 2WKQ FMN 5.22388
60 1E8G FCR 5.22388
61 6H36 FKE 5.22388
62 2NVA PL2 5.22388
63 1F1V DHY 5.22388
64 3Q8U ADP 5.22388
65 4WHZ 3NL 5.97015
66 3PTQ NFG 5.97015
67 3TTI KBI 5.97015
68 3H22 B53 5.97015
69 4P7X YCP 5.97015
70 4P7X AKG 5.97015
71 3F5K CE5 5.97015
72 1KZN CBN 5.97015
73 3OVR 5SP 5.97015
74 1FHX 4IP 6.20155
75 5DJU FMN 6.55738
76 3E9I XAH 6.71642
77 4X6F 3XU 6.71642
78 4HIA FMN 6.71642
79 5AMV ADA ADA ADA 6.71642
80 4H6B 10Y 6.71642
81 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 7
82 3OBK PBG 7.02247
83 4COQ SAN 7.46269
84 6FE1 V14 7.46269
85 4ORR PE3 7.46269
86 5DJT FMN 8.19672
87 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 8.20895
88 2WLG SOP 8.20895
89 3HUJ AGH 8.20895
90 5V2L ATP 8.20895
91 5AE9 OKO 8.20895
92 3ILR SGN 8.20895
93 3ILR IXD 8.20895
94 4G31 0WH 8.20895
95 2ADD SUC 8.95522
96 5ENQ 5QE 8.95522
97 3SLS 77D 8.95522
98 1PN0 FAD 8.95522
99 2IGA XX2 8.95522
100 1ELU CSS 8.95522
101 5LXT ACP 9.70149
102 4B7P 9UN 9.70149
103 5EYP LOC 9.70149
104 5EFW FMN 10
105 1G72 PQQ 10.1449
106 4HWT 1B2 10.4478
107 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 11.194
108 2JEQ GAL BGC BGC BGC XYS BGC XYS 11.194
109 3L9R L9R 11.2245
110 5EZU MYR 11.236
111 3PNA CMP 11.9403
112 4B7H NDP 11.9403
113 5MBC FMN 11.9403
114 4OLT GCS GCS GCS GCS GCS GCS 12.6866
115 5HV0 AKG 12.6866
116 3EXS 5RP 12.6866
117 3NB0 G6P 13.4328
118 4MOB ADP 13.4328
119 5CJF 520 14.1791
120 4NG2 OHN 14.1791
121 4WW8 VD9 14.9254
122 5C3R AKG 15.6716
123 5C3R HMU 15.6716
124 2OBD PCW 21.6418
125 5TUF TDC 23.1343
126 4NMC FAD 26.1194
127 1JGU HBC 26.8657
APoc FAQ
Feedback