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+2]...
View in 3D viewer
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 473 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: 89
No: Ligand ECFP6 Tc MDL keys Tc
1 SGA BGC 1 1
2 GLA GAL BGC 0.616667 0.702128
3 GLA GAL GAL 0.616667 0.702128
4 5GO 0.606557 0.901961
5 BMA GAL 0.6 0.702128
6 GAL GLC 0.6 0.702128
7 BGC GAL 0.6 0.702128
8 CBI 0.6 0.702128
9 MAB 0.6 0.702128
10 GLA GLA 0.6 0.702128
11 GLC GAL 0.6 0.702128
12 B2G 0.6 0.702128
13 GLC BGC 0.6 0.702128
14 GAL BGC 0.6 0.702128
15 BMA BMA 0.6 0.702128
16 GLA GAL 0.6 0.702128
17 MAL MAL 0.6 0.6875
18 CBK 0.6 0.702128
19 BGC BMA 0.6 0.702128
20 BGC GLC 0.6 0.702128
21 LAT 0.6 0.702128
22 MAL 0.6 0.702128
23 N9S 0.6 0.702128
24 LBT 0.6 0.702128
25 BGC BGC BGC BGC BGC BGC BGC BGC 0.578125 0.702128
26 BGC BGC BGC BGC 0.578125 0.702128
27 MAN BMA BMA BMA BMA 0.559322 0.702128
28 BGC BGC BGC BGC BGC BGC 0.559322 0.702128
29 GLC GAL GAL 0.559322 0.702128
30 CE5 0.559322 0.702128
31 MAN MAN BMA BMA BMA BMA 0.559322 0.702128
32 BGC GLC GLC GLC GLC 0.559322 0.702128
33 CE6 0.559322 0.702128
34 BGC GLC GLC 0.559322 0.702128
35 DXI 0.559322 0.702128
36 GLC BGC BGC BGC BGC BGC 0.559322 0.702128
37 CTR 0.559322 0.702128
38 GLA GAL GLC 0.559322 0.702128
39 BGC BGC BGC GLC 0.559322 0.702128
40 BMA BMA BMA 0.559322 0.702128
41 CTT 0.559322 0.702128
42 BGC GLC GLC GLC 0.559322 0.702128
43 GLC GLC GLC GLC GLC 0.559322 0.702128
44 MLR 0.559322 0.702128
45 GLC BGC BGC 0.559322 0.702128
46 CEX 0.559322 0.702128
47 BMA BMA BMA BMA BMA BMA 0.559322 0.702128
48 GLC GLC BGC 0.559322 0.702128
49 MTT 0.559322 0.702128
50 BMA BMA BMA BMA BMA 0.559322 0.702128
51 BMA MAN BMA 0.559322 0.702128
52 BGC GLC GLC GLC GLC GLC GLC 0.559322 0.702128
53 B4G 0.559322 0.702128
54 GAL GAL GAL 0.559322 0.702128
55 GLC GLC GLC GLC GLC GLC GLC 0.559322 0.702128
56 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.559322 0.702128
57 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.559322 0.702128
58 GLC BGC BGC BGC BGC 0.559322 0.702128
59 MT7 0.559322 0.702128
60 GLC GLC GLC GLC GLC GLC GLC GLC 0.559322 0.702128
61 GLC BGC GLC 0.559322 0.702128
62 CEY 0.559322 0.702128
63 CT3 0.559322 0.702128
64 GLC GLC BGC GLC GLC GLC GLC 0.559322 0.702128
65 CE8 0.559322 0.702128
66 MAN BMA BMA 0.559322 0.702128
67 BMA BMA BMA BMA BMA BMA MAN 0.52381 0.6875
68 MAN BMA BMA BMA BMA BMA 0.52381 0.6875
69 DEL 0.5 0.6875
70 BMA BMA GLA BMA BMA 0.452055 0.702128
71 BGC GLA GAL FUC 0.441558 0.6875
72 GLC GLC GLC BGC 0.438356 0.702128
73 BGC BGC GLC 0.432836 0.702128
74 FUC LAT 0.430556 0.6875
75 FUC GAL GLC 0.430556 0.6875
76 LAT FUC 0.430556 0.6875
77 GLC GAL FUC 0.430556 0.6875
78 BGC GAL FUC 0.430556 0.6875
79 SGA MAG FUC 0.428571 0.741935
80 GLC GLC FRU 0.410256 0.666667
81 BGC BGC BGC BGC BGC 0.409091 0.702128
82 BGC BGC BGC ASO BGC BGC ASO 0.409091 0.702128
83 GLC BGC BGC BGC 0.409091 0.702128
84 GLC BGC BGC BGC BGC BGC BGC 0.409091 0.702128
85 BGC BGC BGC 0.409091 0.702128
86 BGC BGC BGC GLC BGC BGC 0.409091 0.702128
87 GLC GLC BGC XYS BGC XYS 0.407407 0.673469
88 LAT GLA 0.403226 0.702128
89 BGC BGC XYS BGC 0.4 0.673469
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WW5; Ligand: SGA BGC; Similar sites found: 68
This union binding pocket(no: 1) in the query (biounit: 1ww5.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QKQ MAN 0.0000004424 0.6125 None
2 1KGI T4A 0.007118 0.43698 None
3 5F3I 5UJ 0.0252 0.43453 None
4 1J3R 6PG 0.002178 0.40821 None
5 4RJD TFP 0.01204 0.40024 None
6 5H9Y BGC BGC BGC BGC 0.0124 0.41156 1.875
7 1ZM1 BGC BGC BGC 0.001249 0.40309 1.875
8 3ENG CBI 0.00393 0.43269 2.5
9 3E8T UQ8 0.009008 0.46062 3.125
10 4B1L FRU 0.003981 0.41652 3.125
11 4B1M FRU FRU 0.004121 0.41199 3.125
12 2XMY CDK 0.01039 0.46167 3.75
13 1UMZ BGC BGC XYS BGC XYS GAL 0.0003052 0.4546 3.75
14 2QZ3 XYP XYP XYP 0.01023 0.42613 3.75
15 3Q8G PEE 0.04748 0.41849 3.75
16 4LED XXR 0.006897 0.4095 3.75
17 4PFC 2QX 0.03075 0.40669 3.75
18 2VFT SOR 0.00301 0.40513 3.75
19 3QRC SCR 0.00004435 0.51164 3.82166
20 5U98 1KX 0.02004 0.44407 4.375
21 4Q0L V14 0.009469 0.43261 4.375
22 4IMO PWZ 0.006425 0.4172 4.375
23 1ZB6 GST 0.03195 0.40924 4.375
24 1ZB6 DIN 0.03916 0.40337 4.375
25 1DZK PRZ 0.001417 0.40037 4.4586
26 3FW4 CAQ 0.01576 0.4207 4.49438
27 5EOB 5QQ 0.01447 0.44678 5
28 3A4X NAG NAG NAG NDG 0.006753 0.44224 5
29 1GQG DCD 0.01119 0.42497 5
30 4YZ5 SLT 0.0009957 0.41489 5
31 4NPL AKG 0.007165 0.41259 5
32 4DE9 VTP 0.03079 0.41208 5
33 3EEB IHP 0.01708 0.40759 5
34 3KF3 FRU 0.03169 0.40523 5
35 4I54 1C1 0.04889 0.40072 5
36 5FU3 BGC BGC BGC 0.003938 0.42465 5.66038
37 5JSP DQY 0.003193 0.42949 6.25
38 5FBN 5WF 0.04644 0.40487 6.25
39 4FFG 0U8 0.006352 0.40343 6.25
40 5ML3 DL3 0.005884 0.45718 6.71141
41 4YZC STU 0.02975 0.417 6.875
42 2VBF TPP 0.02094 0.41897 7.5
43 4XV1 904 0.02756 0.41385 7.5
44 2GVV DI9 0.007862 0.40232 7.5
45 4ORM ORO 0.0245 0.44035 8.125
46 4ORM FMN 0.0245 0.44035 8.125
47 4ORM 2V6 0.0245 0.44035 8.125
48 5XSS XYP 0.008294 0.41465 8.125
49 3MTX PGT 0.01572 0.43367 9.27152
50 4IGQ THR M3L GLN 0.006006 0.43506 9.375
51 1KQW RTL 0.0118 0.41792 9.70149
52 4WOE ADP 0.007792 0.40962 10
53 5GM9 CBK 0.03898 0.40542 10
54 2I74 MAN MAN MAN MAN 0.0122 0.40102 10.0529
55 5VNF VAL THR SER VAL VAL 0.005524 0.42256 11.25
56 1U0A BGC BGC BGC BGC 0.0003123 0.42281 11.875
57 4IGH 1EA 0.01346 0.45649 12.5
58 4IGH ORO 0.01346 0.45649 12.5
59 4IGH FMN 0.01346 0.45649 12.5
60 4K55 H6P 0.0005146 0.47765 12.9032
61 5X7Q GLC GLC GLC GLC GLC 0.007599 0.41395 13.125
62 1YKD CMP 0.004064 0.44208 13.75
63 1ODM ASV 0.006105 0.44241 16.25
64 1MJJ HAL 0.01548 0.42072 16.25
65 5KEW 6SB 0.003914 0.42556 17.3611
66 3VV1 GAL FUC 0.0000002253 0.64792 17.5
67 5EPQ OLA 0.0005972 0.48229 22.5
68 5H9P TD2 0.000006156 0.54451 26.5823
Pocket No.: 2; Query (leader) PDB : 1WW5; Ligand: SGA BGC; Similar sites found: 8
This union binding pocket(no: 2) in the query (biounit: 1ww5.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5GXU FAD 0.04632 0.40003 2.5
2 1M15 ADP 0.01675 0.42878 3.125
3 1M15 ARG 0.01675 0.42878 3.125
4 1OJK GLC BGC 0.01047 0.40852 4.375
5 2P8U COA 0.03194 0.40093 6.875
6 3A7R LAQ 0.02236 0.4242 7.5
7 3JRS A8S 0.009057 0.42773 9.375
8 3ETH ATP 0.01914 0.41246 26.875
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