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Receptor
PDB id Resolution Class Description Source Keywords
1WW5 2.2 Å NON-ENZYME: BINDING AGROCYBE CYLINDRACEA GALECTIN COMPLEXED WITH 3'-SULFONYL LACTOSE AGROCYBE CYLINDRACEA AGROCYBE CYLINDRACEA GALECTIN FUNGAL GALECTIN CARBOHYDRATERECOGNITION DOMAIN 3-prime -SULFATED LACTOSE X-RAY CRYSTALLOGRAPHIC ANALYSIS SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF A FUNGAL GALECTIN FROM AGROCYBE CYLINDRACEA FOR RECOGNIZING SIALOCONJUGATE J.MOL.BIOL. V. 351 695 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SGA BGC A:200;
B:210;
C:220;
D:230;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
421.352 n/a S(=O)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WW5 2.2 Å NON-ENZYME: BINDING AGROCYBE CYLINDRACEA GALECTIN COMPLEXED WITH 3'-SULFONYL LACTOSE AGROCYBE CYLINDRACEA AGROCYBE CYLINDRACEA GALECTIN FUNGAL GALECTIN CARBOHYDRATERECOGNITION DOMAIN 3-prime -SULFATED LACTOSE X-RAY CRYSTALLOGRAPHIC ANALYSIS SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF A FUNGAL GALECTIN FROM AGROCYBE CYLINDRACEA FOR RECOGNIZING SIALOCONJUGATE J.MOL.BIOL. V. 351 695 2005
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1WW4 - GLA GLC SIA n/a n/a
2 1WW6 - GAL BGC n/a n/a
3 1WW5 - SGA BGC n/a n/a
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZGN - GAL C6 H12 O6 C([C@@H]1[....
2 3M3O Kd = 250.63 uM GAL A2G NPO n/a n/a
3 3M3E Kd = 37.45 uM GAL A2G NPO n/a n/a
4 3M3Q - GAL NGA GAL BGC SIA n/a n/a
5 3AFK Kd = 251.89 uM GAL A2G THR n/a n/a
6 3M3C Kd = 86.21 uM GAL A2G NPO n/a n/a
7 2ZGM - LAT C12 H22 O11 C([C@@H]1[....
8 2ZGO - LAT C12 H22 O11 C([C@@H]1[....
9 3WG4 - A2G GAL NAG FUC n/a n/a
10 3WG3 - A2G GAL NAG FUC n/a n/a
11 3WG1 - LAT C12 H22 O11 C([C@@H]1[....
12 1WW4 - GLA GLC SIA n/a n/a
13 1WW6 - GAL BGC n/a n/a
14 1WW5 - SGA BGC n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZGN - GAL C6 H12 O6 C([C@@H]1[....
2 3M3O Kd = 250.63 uM GAL A2G NPO n/a n/a
3 3M3E Kd = 37.45 uM GAL A2G NPO n/a n/a
4 3M3Q - GAL NGA GAL BGC SIA n/a n/a
5 3AFK Kd = 251.89 uM GAL A2G THR n/a n/a
6 3M3C Kd = 86.21 uM GAL A2G NPO n/a n/a
7 2ZGM - LAT C12 H22 O11 C([C@@H]1[....
8 2ZGO - LAT C12 H22 O11 C([C@@H]1[....
9 3WG4 - A2G GAL NAG FUC n/a n/a
10 3WG3 - A2G GAL NAG FUC n/a n/a
11 3WG1 - LAT C12 H22 O11 C([C@@H]1[....
12 1WW4 - GLA GLC SIA n/a n/a
13 1WW6 - GAL BGC n/a n/a
14 1WW5 - SGA BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SGA BGC; Similar ligands found: 84
No: Ligand ECFP6 Tc MDL keys Tc
1 SGA BGC 1 1
2 5GO 0.77193 0.960784
3 GLA GAL GAL 0.587302 0.66
4 GAL BGC 0.568965 0.66
5 LAT 0.568965 0.66
6 CBI 0.568965 0.66
7 GLC GAL 0.568965 0.66
8 LBT 0.568965 0.66
9 B2G 0.568965 0.66
10 GLA GLA 0.568965 0.66
11 BMA GAL 0.568965 0.66
12 CBK 0.568965 0.66
13 N9S 0.568965 0.66
14 GLA GAL 0.568965 0.66
15 BGC BMA 0.568965 0.66
16 BGC GAL 0.568965 0.66
17 MAB 0.568965 0.66
18 MAL 0.568965 0.66
19 BGC BGC BGC BGC BGC BGC BGC BGC 0.552239 0.66
20 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.532258 0.66
21 BGC BGC BGC BGC BGC BGC 0.532258 0.66
22 BMA BMA BMA BMA BMA BMA 0.532258 0.66
23 MAN BMA BMA BMA BMA BMA 0.532258 0.66
24 BGC GLC GLC 0.532258 0.66
25 MAN MAN BMA BMA BMA BMA 0.532258 0.66
26 GLC BGC BGC BGC BGC 0.532258 0.66
27 BGC BGC GLC 0.532258 0.66
28 BGC BGC BGC 0.532258 0.66
29 CTT 0.532258 0.66
30 GLC GLC BGC 0.532258 0.66
31 BGC GLC GLC GLC 0.532258 0.66
32 CE6 0.532258 0.66
33 GLA GAL BGC 0.532258 0.66
34 CEY 0.532258 0.66
35 GLA GAL GLC 0.532258 0.66
36 B4G 0.532258 0.66
37 CT3 0.532258 0.66
38 GLC BGC BGC 0.532258 0.66
39 MT7 0.532258 0.66
40 BMA MAN BMA 0.532258 0.66
41 BGC BGC BGC BGC BGC 0.532258 0.66
42 MTT 0.532258 0.66
43 MAN BMA BMA 0.532258 0.66
44 CE8 0.532258 0.66
45 CTR 0.532258 0.66
46 DXI 0.532258 0.66
47 GLC BGC BGC BGC BGC BGC 0.532258 0.66
48 GLC GAL GAL 0.532258 0.66
49 CEX 0.532258 0.66
50 GLC GLC GLC GLC GLC 0.532258 0.66
51 GAL GAL GAL 0.532258 0.66
52 GLC BGC GLC 0.532258 0.66
53 CE5 0.532258 0.66
54 BGC GLC GLC GLC GLC GLC GLC 0.532258 0.66
55 BMA BMA BMA BMA BMA 0.532258 0.66
56 BGC GLC GLC GLC GLC 0.532258 0.66
57 MLR 0.532258 0.66
58 BMA BMA BMA 0.532258 0.66
59 BGC BGC BGC GLC 0.532258 0.66
60 GLC BGC BGC BGC 0.532258 0.66
61 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.532258 0.66
62 MAN BMA BMA BMA BMA 0.532258 0.66
63 BGC BGC BGC BGC 0.532258 0.66
64 XYT 0.478261 0.722222
65 DEL 0.476923 0.647059
66 BMA BMA BMA BMA 0.464789 0.627451
67 BGC GLA GAL FUC 0.443038 0.647059
68 SGA MAG FUC 0.44186 0.753846
69 GLC GLC GLC BGC 0.44 0.66
70 BMA BMA GLA BMA BMA 0.434211 0.66
71 GLC GAL FUC 0.432432 0.647059
72 FUC GAL GLC 0.432432 0.647059
73 LAT FUC 0.432432 0.647059
74 8B7 0.432432 0.647059
75 BGC GAL FUC 0.432432 0.647059
76 BGC BGC XYS BGC 0.419753 0.634615
77 GAL GAL SO4 0.405405 1
78 BGC BGC BGC XYS BGC XYS XYS 0.404762 0.634615
79 BGC BGC XYS BGC XYS BGC XYS 0.404762 0.634615
80 GLC BGC BGC XYS BGC XYS XYS 0.404762 0.634615
81 GLC GLC GLC PO4 SGC GLC 0.402174 0.818182
82 BGC BGC BGC XYS BGC BGC 0.4 0.634615
83 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.4 0.634615
84 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.4 0.634615
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WW5; Ligand: SGA BGC; Similar sites found with APoc: 281
This union binding pocket(no: 1) in the query (biounit: 1ww5.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1QKQ MAN None
2 5IXG OTP None
3 2CM4 RCL None
4 1GP6 SIN None
5 1GP6 QUE None
6 1GP6 DH2 None
7 4MNS 2AX None
8 1KGI T4A None
9 2Z77 HE7 None
10 1UNB PN1 None
11 1UNB AKG None
12 5Y72 DST None
13 4P42 PEE None
14 3PFG SAM None
15 3PFG TLO None
16 5LY1 PPI None
17 5TBM 79A None
18 4DW4 U5P None
19 4YHQ G10 None
20 4NV7 COA None
21 3KPB SAM None
22 5NW7 9C2 None
23 3B6R ADP None
24 1J3R 6PG None
25 6CLV 6MB None
26 4RJD TFP None
27 1QIN GIP 1.25
28 5BU3 4W9 1.25
29 3STD MQ0 1.25
30 3TAY MN0 1.25
31 1LFO OLA 1.5625
32 4BVA T3 1.875
33 2Y3S TIR 1.875
34 6EOZ 58K 1.875
35 6EOZ AKG 1.875
36 3VZS CAA 1.875
37 5H9Y BGC BGC BGC BGC 1.875
38 2PFC PLM 1.875
39 1ZM1 BGC BGC BGC 1.875
40 1S4M LUM 1.875
41 5KJZ PCG 2
42 3TCT 3MI 2.3622
43 4ZSI 4R1 2.5
44 5VC5 96M 2.5
45 1TT8 PHB 2.5
46 2OJW ADP 2.5
47 1QY1 PRZ 2.5
48 5UC4 83S 2.5
49 1LGT BP3 2.5
50 3ENG CBI 2.5
51 5HA0 LTD 2.5641
52 3PNA CMP 2.5974
53 1NWW HPN 2.68456
54 2Z6C FMN 3.10078
55 2WA4 069 3.125
56 3E8T UQ8 3.125
57 4J36 FAD 3.125
58 5OX6 A1Z 3.125
59 6D61 4AA 3.125
60 4B1M FRU FRU 3.125
61 4HSJ 6PC 3.125
62 5YBN AKG 3.125
63 4RFR RHN 3.125
64 1VEM GLC GLC 3.125
65 5W4W 9WG 3.75
66 2XMY CDK 3.75
67 1UMZ BGC BGC XYS BGC XYS GAL 3.75
68 4KBA 1QM 3.75
69 2VFT SOR 3.75
70 4QMN DB8 3.75
71 1R6W 164 3.75
72 1RQH PYR 3.75
73 4A4X JUP 3.75
74 4LED XXR 3.75
75 4PFC 2QX 3.75
76 1ZPD DPX 3.75
77 5XEG AKG 3.75
78 1IIU RTL 3.75
79 3QP8 HL0 3.75
80 4QXB OGA 3.75
81 4I6H 1C8 3.75
82 3KFF XBT 3.75
83 3KFF ZBT 3.75
84 4LOO SB4 3.75
85 3QRC SCR 3.82166
86 4R38 RBF 4.28571
87 4WN5 MVC 4.34783
88 4WHZ 3NL 4.375
89 1ERB ETR 4.375
90 6E08 NAP 4.375
91 4RF7 ARG 4.375
92 5U98 1KX 4.375
93 4HWS 1B3 4.375
94 3RGA LSB 4.375
95 3SHR CMP 4.375
96 4QDC ASD 4.375
97 2OBD 2OB 4.375
98 4MP8 NAD 4.375
99 4MP8 MLI 4.375
100 1YKJ FAD 4.375
101 1YKJ PHB 4.375
102 5H5A 6OU 4.375
103 4WW8 VD9 4.375
104 1ZDT PEF 4.375
105 4IMO PWZ 4.375
106 3TTI KBI 4.375
107 3FW9 SLX 4.375
108 5ICE 2H4 4.375
109 1ZB6 GST 4.375
110 4WVO 3UZ 4.375
111 1ZB6 DIN 4.375
112 4IE6 UN9 4.375
113 5N0L ILE 4.40252
114 1DZK PRZ 4.4586
115 1OPB RET 4.47761
116 3FW4 CAQ 4.49438
117 2HFN FMN 4.57516
118 4KU7 PCG 4.57516
119 5OO5 UUA 4.83871
120 4IPH 1FJ 4.87805
121 4YZ5 SLT 5
122 5EOB 5QQ 5
123 5BVE 4VG 5
124 4H2V AMP 5
125 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 5
126 3A4X NAG NAG NAG NDG 5
127 3MF2 AMP 5
128 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 5
129 1GQG DCD 5
130 3ZXR P3S 5
131 3ZXR IQ1 5
132 4NPL AKG 5
133 4OCT AKG 5
134 3JU6 ANP 5
135 3KF3 FRU 5
136 4D1J DGJ 5
137 3EEB IHP 5
138 3M3R BCD 5
139 4U03 GTP 5
140 5E2N V14 5
141 4QA8 PJZ 5
142 4I54 1C1 5
143 5FKP 6UL 5.05051
144 4RYV ZEA 5.16129
145 5FPX GLY SER SER HIS HIS HIS HIS HIS 5.30973
146 2ZMF CMP 5.625
147 4F7E 0SH 5.625
148 3TYZ PAB 5.625
149 6FE1 V14 5.625
150 3E2M E2M 5.625
151 2GJ5 VD3 5.625
152 1Z0A GDP 5.625
153 5FU3 BGC BGC BGC 5.66038
154 5B09 4MX 5.76923
155 5GP0 GPP 6.04027
156 4ZU4 4TG 6.08108
157 5JSP DQY 6.25
158 3LVW GSH 6.25
159 4P7X AKG 6.25
160 4P7X YCP 6.25
161 5DS8 GLY 5CT GLY ALA 6.25
162 4ZLU 4PW 6.25
163 4ZLU ADP 6.25
164 4HDH ATP 6.25
165 4FFG 0U8 6.25
166 5DUB GLY 5GG GLY ALA 6.25
167 5ML3 DL3 6.71141
168 3WDX BGC BGC GLC 6.875
169 3WDX BGC BGC BGC 6.875
170 3ILR SGN IXD 6.875
171 1VA6 P2S 6.875
172 1VA6 ADP 6.875
173 5IXH OTP 6.875
174 4YZC STU 6.875
175 3ILR SGN 6.875
176 3ILR IXD 6.875
177 5FXD H7Y 6.875
178 1S20 NAD 6.875
179 2Y88 2ER 6.875
180 2P8U COA 6.875
181 6G9I CXX 6.875
182 5HV0 AKG 6.875
183 2VBF TPP 7.5
184 3N0Y APC 7.5
185 4XV1 904 7.5
186 2GVV DI9 7.5
187 4CQE CQE 7.5
188 2YKL NLD 7.5
189 4D5B ACX 8.125
190 4UWJ MYA 8.125
191 4UWJ 7L5 8.125
192 4ORM 2V6 8.125
193 4ORM FMN 8.125
194 4ORM ORO 8.125
195 5EYK 5U5 8.125
196 6AYU MLI 8.125
197 4C2V YJA 8.125
198 5XSS XYP 8.125
199 2ZRU FMN 8.125
200 1ZY5 ANP 8.125
201 4BVM VCA 8.27068
202 4BVM PLM 8.27068
203 1ST0 GTG 8.75
204 2NVA PL2 8.75
205 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 8.75
206 1GT4 UNA 8.80503
207 1OGX EQU 9.16031
208 3MTX PGT 9.27152
209 3RWP ABQ 9.375
210 4IGQ THR M3L GLN 9.375
211 1TYU GLA MAN RAM TYV GLA MAN RAM TYV 9.375
212 5C3R AKG 9.375
213 5C3R HMU 9.375
214 6GW1 CHO 9.375
215 1KQW RTL 9.70149
216 4X6F 3XU 10
217 4WOE ADP 10
218 5DEY 59T 10
219 4ICS TRP GLY 10
220 5GM9 CBK 10
221 4YGF AZM 10
222 4PXQ UAP SGN IDS SGN IDS SGN 10
223 2I74 MAN MAN MAN MAN 10.0529
224 4K3H 1OM 10.1695
225 2A1L PCW 10.625
226 2WQN ADP 10.625
227 3PQB VGP 10.625
228 6F97 FAD 10.625
229 1NYW DAU 10.625
230 3E85 BSU 10.7595
231 3VQ2 LP4 LP5 MYR DAO 11.1111
232 2AG4 OLA 11.25
233 2AG4 LP3 11.25
234 4I4B NAD 11.25
235 2YNE NHW 11.25
236 2YNE YNE 11.25
237 5VNF VAL THR SER VAL VAL 11.25
238 1QNF FAD 11.25
239 1U0A BGC BGC BGC BGC 11.875
240 3MPB FRU 11.875
241 4IGH FMN 12.5
242 4IGH 1EA 12.5
243 4IGH ORO 12.5
244 4ONA UW1 12.5
245 4K55 H6P 12.9032
246 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 13.125
247 5X7Q GLC GLC GLC GLC GLC 13.125
248 1REQ DCA 13.125
249 4IAW LIZ 13.125
250 1YKD CMP 13.75
251 5EH0 5NW 13.75
252 4Y0X ADP 13.75
253 5N87 N66 13.75
254 3MHA Z69 14.375
255 3QUG GIX 15.0794
256 1N5S ADL 15.1786
257 1ODM ASV 16.25
258 5FP4 YC8 16.25
259 1MJJ HAL 16.25
260 1U6R ADP 16.25
261 1OGZ EQU 16.8
262 5KEW 6SB 17.3611
263 3VV1 GAL FUC 17.5
264 5KD6 LBU 17.5
265 5KD6 6C7 17.5
266 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 18.125
267 6E2B PT7 18.4211
268 3AGC RCC 18.75
269 1DRY AAG 19.375
270 1DRY AKG 19.375
271 4R3U 3HC 20.625
272 4R3U 3KK 20.625
273 1F3D TPM 20.625
274 2IO8 ADP 21.25
275 3T4L ZEA 21.875
276 5EPQ OLA 22.5
277 1MH5 HAL 22.5
278 4H2X G5A 24.375
279 5H9P TD2 26.5823
280 3ETH ATP 26.875
281 1EBL COA 29.375
Pocket No.: 2; Query (leader) PDB : 1WW5; Ligand: SGA BGC; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 1ww5.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2TPS TPS 1.25
2 1XIM XYL 1.875
3 4PYW ACE THR THR ALA ILE NH2 2.5
4 5GXU FAD 2.5
5 1M15 ADP 3.125
6 1M15 ARG 3.125
7 5UR6 8KM 4.375
8 4BG4 ADP 4.375
9 1OJK GLC BGC 4.375
10 1OJJ GLC GAL 4.375
11 5ISY NAD 4.375
12 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 4.375
13 5EW9 5VC 5
14 3RUG DB6 5.05051
15 2FR3 REA 5.10949
16 2YG2 FLC 5.625
17 5FBN 5WF 6.25
18 4H6B 10Y 6.875
19 4H6B 10X 6.875
20 3A7R LAQ 7.5
21 6CC0 EWM 8.75
22 3JRS A8S 9.375
23 6GR0 F8W 11.25
24 3HQP OXL 12.5
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