Receptor
PDB id Resolution Class Description Source Keywords
2YIP 2.14 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF PARASITE SARCOCYSTIS MURIS MICRONEME PROTEIN SML-2 IN COMPLEX WITH 1-THIO-BETA-D-GALACTOSE ( S PACEGROUP P212121) SARCOCYSTIS MURIS SUGAR BINDING PROTEIN APPLE-DOMAIN TANDEM REPEAT PAN_AP PGALACTOSE-BINDING LECTIN CELLULAR ADHESION MICRONEMAL PRO
Ref.: PAN-MODULAR STRUCTURE OF MICRONEME PROTEIN SML-2 FR PARASITE SARCOCYSTIS MURIS AT 1.95 A RESOLUTION AND COMPLEX WITH 1-THIO-BETA-D-GALACTOSE. ACTA CRYSTALLOGR.,SECT.D V. D67 936 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1136;
A:1137;
A:1138;
A:1139;
B:1137;
C:1138;
C:1139;
D:1136;
D:1137;
F:1137;
F:1138;
F:1139;
F:1140;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
GOL B:1136;
C:1136;
C:1137;
E:1136;
E:1137;
E:1138;
F:1136;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
YIO A:1135;
B:1135;
C:1135;
D:1135;
E:1135;
F:1135;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
196.221 C6 H12 O5 S C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YIP 2.14 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF PARASITE SARCOCYSTIS MURIS MICRONEME PROTEIN SML-2 IN COMPLEX WITH 1-THIO-BETA-D-GALACTOSE ( S PACEGROUP P212121) SARCOCYSTIS MURIS SUGAR BINDING PROTEIN APPLE-DOMAIN TANDEM REPEAT PAN_AP PGALACTOSE-BINDING LECTIN CELLULAR ADHESION MICRONEMAL PRO
Ref.: PAN-MODULAR STRUCTURE OF MICRONEME PROTEIN SML-2 FR PARASITE SARCOCYSTIS MURIS AT 1.95 A RESOLUTION AND COMPLEX WITH 1-THIO-BETA-D-GALACTOSE. ACTA CRYSTALLOGR.,SECT.D V. D67 936 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 2YIP - YIO C6 H12 O5 S C([C@@H]1[....
2 2YIO - YIO C6 H12 O5 S C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 2YIP - YIO C6 H12 O5 S C([C@@H]1[....
2 2YIO - YIO C6 H12 O5 S C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 2YIP - YIO C6 H12 O5 S C([C@@H]1[....
2 2YIO - YIO C6 H12 O5 S C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: YIO; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 YIO 1 1
2 GLC MA1 0.478261 0.882353
3 GXL 0.441176 0.870968
4 MAN 0.441176 0.870968
5 GAL 0.441176 0.870968
6 WOO 0.441176 0.870968
7 GIV 0.441176 0.870968
8 GLA 0.441176 0.870968
9 ALL 0.441176 0.870968
10 BMA 0.441176 0.870968
11 BGC 0.441176 0.870968
12 GLC 0.441176 0.870968
13 GLC SSG SSG SGC 0.44 0.882353
14 RIB 0.419355 0.757576
15 AHR 0.419355 0.757576
16 Z6J 0.419355 0.757576
17 32O 0.419355 0.757576
18 FUB 0.419355 0.757576
19 GLF 0.416667 0.794118
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2yip.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found: 88
This union binding pocket(no: 2) in the query (biounit: 2yip.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CE7 ADP 0.008187 0.43898 None
2 3W9R A8S 0.007233 0.43064 None
3 4R38 RBF 0.01934 0.41538 None
4 3T50 FMN 0.01686 0.40694 None
5 4FCW ADP 0.02326 0.40504 None
6 4H6Q TFB 0.04789 0.40473 None
7 5DV2 C5P 0.002025 0.46105 1.44928
8 2A92 NAI 0.009902 0.43402 1.44928
9 1YKJ FAD 0.03194 0.42363 1.44928
10 1YKJ PHB 0.03194 0.42363 1.44928
11 1YBQ BDH 0.009671 0.41038 1.44928
12 1TLG GAL 0.001369 0.40668 1.6
13 5A3B APR 0.003868 0.45298 2.17391
14 3M3R BCD 0.02752 0.42829 2.17391
15 5D4V SAH 0.03401 0.40205 2.17391
16 1VA6 P2S 0.005444 0.4697 2.89855
17 3KDJ A8S 0.007978 0.43273 2.89855
18 1S17 GNR 0.01003 0.42416 2.89855
19 4DE9 VTP 0.03258 0.41978 2.89855
20 5EQU AKG 0.01473 0.41796 2.89855
21 4PLT OXM 0.03669 0.41783 2.89855
22 4PLT NAI 0.03848 0.41783 2.89855
23 3OJI PYV 0.008149 0.41438 2.89855
24 1D1T NAD 0.0235 0.41299 2.89855
25 1GQG DCD 0.02709 0.40546 2.89855
26 4WB6 ATP 0.049 0.40049 2.89855
27 2RKV ZBA 0.02875 0.42501 3.62319
28 2RKV COA 0.02558 0.42501 3.62319
29 4RSL FAD 0.03255 0.41863 3.62319
30 4MP8 NAD 0.02497 0.41811 3.62319
31 4DR9 BB2 0.01343 0.41808 3.62319
32 2CWH PYC 0.02888 0.40269 3.62319
33 4PLG NAI 0.01063 0.43899 4.34783
34 2C31 TZD 0.02461 0.43446 4.34783
35 2C31 ADP 0.02414 0.43446 4.34783
36 1H6C SIN 0.03415 0.41439 4.34783
37 3WLE NAD 0.02863 0.40978 4.34783
38 2DW7 SRT 0.009709 0.40164 4.34783
39 4IU0 ABH 0.01886 0.40072 4.34783
40 2FTB OLA 0.01135 0.42472 4.8
41 2Q28 ADP 0.006028 0.42662 5.07246
42 1K9J NAG MAN MAN MAN NAG 0.00867 0.41104 5.07246
43 5M42 FMN 0.02633 0.4084 5.07246
44 5M1Z 6LW AHR 0.01822 0.40646 5.7971
45 1TV5 FMN 0.02662 0.44038 6.52174
46 2D24 XYS XYS 0.002751 0.42124 6.52174
47 4XJC TTP 0.01589 0.41745 6.52174
48 1ECC PCP 0.01855 0.41706 6.52174
49 4ZVV NAD 0.04896 0.40861 6.52174
50 4ZVV GN0 0.04896 0.40861 6.52174
51 4LO2 GAL BGC 0.004942 0.40094 6.52174
52 5JNN 6LM 0.006345 0.43973 7.24638
53 5DXI TRE 0.00635 0.43499 7.24638
54 4LA7 A1O 0.009951 0.43127 7.24638
55 1OFZ FUC 0.01006 0.41348 7.24638
56 5JO1 6LM 0.02077 0.40691 7.24638
57 2B4G FMN 0.03091 0.40485 7.24638
58 2EW5 Y12 0.005659 0.43784 7.97101
59 4NMC FAD 0.04696 0.41743 7.97101
60 4NMC 2OP 0.04535 0.41743 7.97101
61 1PZG A3D 0.02323 0.41445 7.97101
62 4FHD 0TT 0.03624 0.41389 7.97101
63 4FHD EEM 0.03624 0.41389 7.97101
64 3OH3 UAD 0.01425 0.41118 7.97101
65 1P0F NAP 0.01219 0.42504 8.69565
66 5DX9 T6P 0.01107 0.42263 8.69565
67 5KF6 TFB 0.04078 0.41674 8.69565
68 5KF6 FAD 0.04078 0.41674 8.69565
69 4K79 GAL A2G 0.01102 0.40118 8.69565
70 3A72 AHR AHR 0.01963 0.40075 8.69565
71 4WVO 3UZ 0.02327 0.40604 9.42029
72 1T26 NAI 0.01184 0.44279 10.1449
73 5MSD BEZ 0.009268 0.42741 10.1449
74 4NV7 COA 0.01555 0.40867 10.1449
75 2WQP WQP 0.02189 0.40722 10.1449
76 3AD8 NAD 0.04482 0.40004 10.8696
77 3ZW2 GLA NAG GAL FUC 0.008744 0.42887 11.4943
78 3ZW0 FUC 0.01015 0.4135 11.4943
79 3ZW2 NAG GAL FUC 0.01807 0.40685 11.4943
80 1DLJ UGA 0.04633 0.41576 11.5942
81 4CSD MFU 0.01027 0.41328 11.5942
82 1H2B NAJ 0.03322 0.40941 11.5942
83 5KJW 53C 0.01312 0.40125 12.3188
84 1SL4 MAN MAN MAN MAN 0.007985 0.41722 13.0435
85 3JRS A8S 0.01152 0.42728 13.7681
86 2IMF GSH 0.02614 0.42905 21.0145
87 2IMF TOM 0.02614 0.42905 21.0145
88 1FFU CDP 0.03428 0.40881 22.4638
Pocket No.: 3; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found: 59
This union binding pocket(no: 3) in the query (biounit: 2yip.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HTW ADP 0.01565 0.40523 None
2 1N5S ADL 0.02224 0.40294 None
3 4N1T 2GD 0.03624 0.40637 0.724638
4 3BC1 GNP 0.03438 0.40676 1.44928
5 4XBT 3ZQ 0.01719 0.40424 1.44928
6 3S6X SIA GAL BGC 0.01193 0.40482 2.17391
7 3WUC GLC GAL 0.0214 0.41269 2.18978
8 1VA6 ADP 0.002538 0.47937 2.89855
9 3FQ8 PMP 0.0161 0.41872 2.89855
10 1WS1 BB2 0.01207 0.41434 2.89855
11 3P7N FMN 0.02403 0.40278 2.89855
12 4TQG NDP 0.04049 0.40253 3.62319
13 2AHR NAP 0.04275 0.40204 3.62319
14 1FQ5 0GM 0.04555 0.40344 4.34783
15 5E1M PRO PRO LYS ARG ILE ALA 0.04675 0.40305 4.34783
16 5E1M SAH 0.04675 0.40305 4.34783
17 3E5H GNP 0.02254 0.41673 5.07246
18 1VG8 GNP 0.02325 0.41617 5.07246
19 2J4D FAD 0.02343 0.4156 5.07246
20 1SL6 GAL NDG FUC 0.002467 0.40596 5.07246
21 2ODE ALF GDP 0.03909 0.40138 5.07246
22 1R2Q GNP 0.04741 0.40413 5.7971
23 2Y8E GNP 0.03931 0.40157 5.7971
24 1TQP ATP 0.03392 0.40144 5.7971
25 4XF6 ADP 0.006141 0.45623 6.52174
26 4XF6 LIP 0.005607 0.45623 6.52174
27 4XF6 INS 0.005607 0.45623 6.52174
28 2AKO ADP 0.02073 0.40193 6.52174
29 1DNP FAD 0.02231 0.41576 7.24638
30 2QV6 GTP 0.01975 0.414 7.24638
31 3WYF GTP 0.03668 0.40258 7.24638
32 4YNU FAD 0.04358 0.41566 7.97101
33 1FQK GDP 0.02492 0.40678 7.97101
34 4DBH OXL 0.002918 0.42894 8.69565
35 3HRD MCN 0.03727 0.40847 8.69565
36 2PK3 A2R 0.02778 0.40188 8.69565
37 2XIQ MLC 0.01405 0.42907 9.42029
38 3M3E GAL A2G NPO 0.002813 0.40164 9.42029
39 2R5E QLP 0.03187 0.40086 9.42029
40 1ZB6 GST 0.02094 0.41821 10.1449
41 5UWH GNP 0.02532 0.41113 11.5942
42 5UWJ GNP 0.03003 0.40762 11.5942
43 5UWP GNP 0.03157 0.40747 11.5942
44 5DI9 GNP 0.0326 0.40698 11.5942
45 5UWQ GNP 0.0322 0.40561 11.5942
46 4HAT GNP 0.03463 0.40519 11.5942
47 5UWI GNP 0.03333 0.40499 11.5942
48 1RM6 FAD 0.01973 0.43238 12.3188
49 1SVK ALF GDP 0.03191 0.40841 13.0435
50 2IFB PLM 0.02715 0.40662 13.7405
51 2BW7 ECS 0.03163 0.42665 13.7681
52 2BW7 APC 0.03442 0.42665 13.7681
53 4A3R CIT 0.01181 0.41335 14.4928
54 3NKS FAD 0.03673 0.41327 14.4928
55 5H2D ERG 0.02784 0.40438 14.4928
56 2TPI ILE VAL 0.007331 0.42516 15.5172
57 4CKU P2F 0.02841 0.42108 18.8406
58 3A1C ACP 0.03321 0.4008 22.4638
59 1ZCB GDP 0.02984 0.40453 23.913
Pocket No.: 4; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2yip.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found: 33
This union binding pocket(no: 5) in the query (biounit: 2yip.bio3) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1H7F C5P 0.01882 0.40319 1.44928
2 4BI7 PGA 0.01591 0.40605 2.17391
3 3WVR AMP 0.01814 0.40423 2.17391
4 2ZQO NGA 0.007708 0.40989 2.30769
5 4OUJ LBT 0.003053 0.4061 2.89855
6 5H81 NAP 0.01803 0.40233 2.89855
7 1ON3 MCA 0.04277 0.40147 3.62319
8 1WP4 NDP 0.03804 0.40041 3.62319
9 4WZH FMN 0.03496 0.40024 3.62319
10 1SR9 KIV 0.00634 0.40389 4.34783
11 1B1C FMN 0.02794 0.40361 4.34783
12 4D3F NAP 0.02242 0.40176 4.34783
13 4G9N NGA 0.003926 0.41295 5.07246
14 1KNM LAT 0.004429 0.41319 6.92308
15 3HU3 AGS 0.03314 0.45203 7.24638
16 5BW4 SAM 0.02374 0.40422 7.24638
17 5MN0 A8S 0.01741 0.40352 7.24638
18 5A04 NDP 0.04647 0.41825 7.97101
19 5A04 BGC 0.04879 0.41825 7.97101
20 4XQC NAD 0.02789 0.41312 7.97101
21 4O8A FAD 0.04334 0.41247 7.97101
22 1NW4 IMH 0.01855 0.40156 7.97101
23 2C5A NAD 0.03897 0.42073 8.69565
24 2C5A GDC 0.03897 0.42073 8.69565
25 4C12 ADP 0.03801 0.42207 9.42029
26 4EIP FAD 0.04076 0.41388 10.1449
27 1DLJ NAI 0.03807 0.42141 11.5942
28 1RM6 PCD 0.04233 0.40256 12.3188
29 5G5G MCN 0.02902 0.4068 13.7681
30 5VAD 91Y 0.03176 0.40967 15.2174
31 5VAD PRO 0.01773 0.405 15.2174
32 1REQ DCA 0.01138 0.44694 15.942
33 3NRZ MTE 0.01917 0.40012 22.4638
Pocket No.: 6; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2yip.bio3) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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