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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 208 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 62 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 42 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 BMA 0.441176 0.870968
4 MAN 0.441176 0.870968
5 BGC 0.441176 0.870968
6 GIV 0.441176 0.870968
7 WOO 0.441176 0.870968
8 GAL 0.441176 0.870968
9 ALL 0.441176 0.870968
10 GLC 0.441176 0.870968
11 GLA 0.441176 0.870968
12 GXL 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 with APoc: 110
This union binding pocket(no: 1) in the query (biounit: 2yip.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3W9R A8S None
2 4R38 RBF None
3 4H6Q FAD None
4 4H6Q TFB None
5 4YVZ 3AT None
6 4Y24 TD2 None
7 1VP5 NAP None
8 4N9I PCG None
9 5BSH PRO None
10 1YKJ PHB 1.44928
11 1YKJ FAD 1.44928
12 2A92 NAI 1.44928
13 5Y72 DST 1.44928
14 3M3R BCD 2.17391
15 5A3B APR 2.17391
16 3WVR AMP 2.17391
17 1CHM CMS 2.17391
18 2ZQO NGA 2.30769
19 1VA6 ADP 2.89855
20 1VA6 P2S 2.89855
21 3KDJ A8S 2.89855
22 3OJI PYV 2.89855
23 1D1T NAD 2.89855
24 2W9S NDP 2.89855
25 5C2F JTH 3.62319
26 4TQG NDP 3.62319
27 4RSL FAD 3.62319
28 2PFY PCA 3.62319
29 4YBN FAD 3.62319
30 1ON3 MCA 3.62319
31 2C31 TZD 4.34783
32 2C31 ADP 4.34783
33 6GBV FMN 4.34783
34 4NW6 2NS 4.34783
35 1H6C SIN 4.34783
36 1H6C NDP 4.34783
37 4UUG PXG 4.34783
38 2YVJ NAI 4.34783
39 2QM9 TDZ 4.34783
40 1SR9 KIV 4.34783
41 2DW7 SRT 4.34783
42 4PLG NAI 4.34783
43 4PLG OXM 4.34783
44 3HO6 IHP 4.34783
45 5M42 FMN 5.07246
46 2Q28 ADP 5.07246
47 5X8G S0N 5.07246
48 5FFF 5XC 5.07246
49 3MGB PAP 5.07246
50 1RYD NDP 5.7971
51 6AYU MLI 5.7971
52 1TMO 2MD 5.7971
53 5M1Z 6LW AHR 5.7971
54 1G8K MGD 5.7971
55 2VTD LKM 6.52174
56 2D24 XYS XYS 6.52174
57 2Z48 NGA 6.52174
58 2Z49 AMG 6.52174
59 2GCG NDP 6.52174
60 1KNM LAT 6.92308
61 5JNN 6LM 7.24638
62 5DXI TRE 7.24638
63 4LA7 A1O 7.24638
64 1OFZ FUL 7.24638
65 1OFZ FUC 7.24638
66 5JO1 6LM 7.24638
67 5XFV FMN 7.24638
68 1I1N SAH 7.24638
69 4DEC 3PG 7.97101
70 4DEC UDP 7.97101
71 1EWF PC1 7.97101
72 2EW5 Y12 7.97101
73 5DX9 T6P 8.69565
74 5KF6 TFB 8.69565
75 5KF6 FAD 8.69565
76 3A72 AHR AHR 8.69565
77 4K79 GAL A2G 8.69565
78 3OGN 3OG 8.87097
79 3ZXR IQ1 9.42029
80 3ZXR P3S 9.42029
81 4C12 ADP 9.42029
82 4C12 UML 9.42029
83 2XIQ MLC 9.42029
84 4WVO 3UZ 9.42029
85 5UR6 8KM 9.42029
86 5MSD BEZ 10.1449
87 5YJI 8WO 10.1449
88 4EIP FAD 10.1449
89 3AD8 NAD 10.8696
90 3ZW2 GLA NAG GAL FUC 11.4943
91 3ZW2 GAL FUC 11.4943
92 3ZW0 FUC 11.4943
93 3ZW2 NAG GAL FUC 11.4943
94 1QIN GIP 11.5942
95 4CSD MFU 11.5942
96 1DLJ UGA 11.5942
97 1H2B NAJ 11.5942
98 3JRS A8S 13.7681
99 2BW7 ECS 13.7681
100 1LLO NAA NAA AMI 13.7681
101 3C3N FMN 14.4928
102 1H65 GDP 15.942
103 1REQ DCA 15.942
104 2WKQ FMN 16.6667
105 3NMV PYV 16.6667
106 2V0U FMN 16.6667
107 3RIY NAD 17.3913
108 6EQS BV8 17.3913
109 2BS5 BGC GAL FUC 20
110 6F7X MFU 37.7778
Pocket No.: 2; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found with APoc: 53
This union binding pocket(no: 2) in the query (biounit: 2yip.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3T50 FMN None
2 4FCW ADP None
3 1WAP TRP None
4 6BJO DUY None
5 5DV2 C5P 1.44928
6 1YBQ BDH 1.44928
7 1TLG GAL 1.6
8 1SC6 NAD 2.17391
9 1C3Q TZE 2.17391
10 5D4V SAH 2.17391
11 4PLT NAI 2.89855
12 1S17 GNR 2.89855
13 5EQU AKG 2.89855
14 6MPT C30 2.89855
15 4PLT OXM 2.89855
16 5WKC FAD 2.89855
17 1GQG DCD 2.89855
18 4RGA 3PV 2.89855
19 2GVC FAD 2.89855
20 4WB6 ATP 2.89855
21 2RKV COA 3.62319
22 2RKV ZBA 3.62319
23 4DR9 BB2 3.62319
24 2CWH PYC 3.62319
25 3WLE NAD 4.34783
26 4IU0 ABH 4.34783
27 2FTB OLA 4.8
28 6C6O ENG 5.07246
29 1K9J NAG MAN MAN MAN NAG 5.07246
30 4G9N NGA 5.07246
31 4XJC TTP 6.52174
32 4LO2 GAL BGC 6.52174
33 5OJL TXP 7.24638
34 4NMC 2OP 7.97101
35 4NMC FAD 7.97101
36 1PZG A3D 7.97101
37 4FHD 0TT 7.97101
38 4FHD EEM 7.97101
39 6BII NAP 7.97101
40 3OH3 UAD 7.97101
41 1P0F NAP 8.69565
42 6GAS FAD 9.42029
43 1T26 NAI 10.1449
44 1T26 GBD 10.1449
45 4NV7 COA 10.1449
46 2WQP WQP 10.1449
47 5XVH NAP 10.8696
48 5KJW 53C 12.3188
49 1SL4 MAN MAN MAN MAN 13.0435
50 4R3U 3KK 14.4928
51 4R3U 3HC 14.4928
52 4U03 GTP 19.5652
53 1FFU CDP 22.4638
Pocket No.: 3; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found with APoc: 74
This union binding pocket(no: 3) in the query (biounit: 2yip.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3WB0 FEG None
2 5LEF GTP None
3 1HTW ADP None
4 1IS3 LAT None
5 4B2H C3F None
6 1N5S ADL None
7 5ANU 58T 0.724638
8 5GT9 NAP 1.44928
9 3BC1 GNP 1.44928
10 3S6X SIA GAL BGC 2.17391
11 3WUC GLC GAL 2.18978
12 3FQ8 PMP 2.89855
13 1WS1 BB2 2.89855
14 4OUJ LBT 2.89855
15 3VV1 GAL FUC 2.89855
16 3P7N FMN 2.89855
17 1PFK ADP 3.62319
18 3NV3 GAL NAG MAN 3.62319
19 2D6M LBT 3.62319
20 3ZV6 NAD 3.62319
21 2AHR NAP 3.62319
22 4B98 PXG 3.62319
23 1FQ5 0GM 4.34783
24 4FL0 PLP 4.34783
25 5E1M SAH 4.34783
26 5E1M PRO PRO LYS ARG ILE ALA 4.34783
27 6F97 FAD 5.07246
28 1SL6 GAL NDG FUC 5.07246
29 3E5H GNP 5.07246
30 1VG8 GNP 5.07246
31 2J4D FAD 5.07246
32 4UOX PLP 5.07246
33 2ODE ALF GDP 5.07246
34 2ZOF BES 5.7971
35 2Y8E GNP 5.7971
36 1TQP ATP 5.7971
37 5JQ1 ZPF 5.7971
38 4XF6 INS 6.52174
39 4XF6 ADP 6.52174
40 4XF6 LIP 6.52174
41 1QS8 IVA VAL VAL STA ALA STA 6.52174
42 2AKO ADP 6.52174
43 1DNP FAD 7.24638
44 2QV6 GTP 7.24638
45 5GLT BGC GAL NAG GAL 7.24638
46 3WYF GTP 7.24638
47 4YNU FAD 7.97101
48 1FQK GDP 7.97101
49 4DBH OXL 8.69565
50 3HRD MCN 8.69565
51 2PK3 A2R 8.69565
52 3M3E GAL A2G NPO 9.42029
53 2R5E QLP 9.42029
54 1ZB6 GST 10.1449
55 5UWH GNP 11.5942
56 5UWJ GNP 11.5942
57 5UWP GNP 11.5942
58 5DI9 GNP 11.5942
59 5UWQ GNP 11.5942
60 4HAT GNP 11.5942
61 6CIT GNP 11.5942
62 5UWI GNP 11.5942
63 1RM6 FAD 12.3188
64 1SVK ALF GDP 13.0435
65 2IFB PLM 13.7405
66 2BW7 APC 13.7681
67 3NKS FAD 14.4928
68 5H2D ERG 14.4928
69 2ZRU FMN 15.2174
70 2TPI ILE VAL 15.5172
71 1DKU AP2 18.8406
72 5YIC 8VO 18.8406
73 3A1C ACP 22.4638
74 1ZCB GDP 23.913
Pocket No.: 4; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found with APoc: 17
This union binding pocket(no: 4) in the query (biounit: 2yip.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5GWT NAD 2.17391
2 5GWT SIN 2.17391
3 3WV6 GAL BGC 3.62319
4 2IYA UDP 3.62319
5 2CWH NDP 3.62319
6 5NW7 9C2 4.34783
7 2CJ9 SSA 5.07246
8 1YZQ GNP 5.7971
9 1NWW HPN 6.52174
10 2PTZ PAH 7.97101
11 4GID 0GH 7.97101
12 4D86 ADP 7.97101
13 1FQJ GDP 7.97101
14 1QNF HDF 8.69565
15 1QNF FAD 8.69565
16 5LX9 OLA 8.69565
17 2OJW ADP 13.0435
Pocket No.: 5; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found with APoc: 37
This union binding pocket(no: 5) in the query (biounit: 2yip.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3BXO UPP None
2 4LUT DCS 1.44928
3 1H7F C5P 1.44928
4 4BI7 PGA 2.17391
5 5MUA GAL 2.89855
6 5H81 NAP 2.89855
7 1WP4 NDP 3.62319
8 4WZH FMN 3.62319
9 1B1C FMN 4.34783
10 4D3F NAP 4.34783
11 3MJY FMN 5.07246
12 3MJY IJZ 5.07246
13 5AM1 I5T 5.7971
14 4HIA FMN 6.25
15 4ZVV GN0 6.52174
16 4ZVV NAD 6.52174
17 3A4V NAD 7.24638
18 3A4V PYR 7.24638
19 6HOY TSN 7.24638
20 4YMZ 13P 7.24638
21 5BW4 SAM 7.24638
22 5MN0 A8S 7.24638
23 4XQC NAD 7.97101
24 4O8A FAD 7.97101
25 3HAZ FAD 7.97101
26 1NW4 IMH 7.97101
27 5IVE 6E8 7.97101
28 2C5A NAD 8.69565
29 2C5A GDC 8.69565
30 1DLJ NAI 11.5942
31 2FZW NAD 12.3188
32 1RM6 PCD 12.3188
33 5G5G MCN 13.7681
34 5VAD 91Y 15.2174
35 5VAD PRO 15.2174
36 3NRZ HPA 22.4638
37 3NRZ MTE 22.4638
Pocket No.: 6; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found with APoc: 51
This union binding pocket(no: 6) in the query (biounit: 2yip.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4PSB GA3 None
2 5T7I LAT NAG GAL None
3 3FW9 SLX None
4 5MBC FMN None
5 1YBH FAD 1.44928
6 3ZXE PGZ 2.25564
7 2GMH FAD 2.89855
8 2UVF AD0 2.89855
9 5DEY 59T 3.62319
10 1U08 PLP 3.62319
11 2BWA GLC BGC 3.62319
12 1X0P FAD 3.62319
13 5L9B AKG 3.62319
14 1OVD FMN 3.62319
15 1OVD ORO 3.62319
16 5L9V OGA 3.62319
17 5YZ2 AMP 3.62319
18 1RC0 KT5 3.62319
19 3DLG GWE 3.62319
20 3OIX FMN 3.62319
21 1NM5 NAP 4.34783
22 1NM5 NAD 4.34783
23 3AAQ ARU 4.34783
24 4M2K PLP 5.07246
25 3EI9 PL6 5.07246
26 2HFN FMN 5.07246
27 3B4Y F42 5.07246
28 5J60 FAD 5.7971
29 1M7Y PPG 5.7971
30 1D4O NAP 5.7971
31 5FQK 6NT 6.52174
32 3D1R FBP 7.24638
33 4H69 10Y 7.97101
34 1BH2 GSP 7.97101
35 4HWS 1B3 7.97101
36 3A5Z KAA 8.69565
37 4I9A NCN 8.69565
38 5LWY OLA 8.69565
39 2R5C C6P 9.42029
40 1GEX PLP HSA 10.1449
41 3BRN SRO 10.1449
42 5MSD AMP 10.1449
43 5ITZ GDP 10.8696
44 5TWB FAD 12.3188
45 2JHP SAH 12.3188
46 5GP0 GPP 12.3188
47 4H4D 10E 13.0435
48 5DTF 5CT 14.4928
49 2ADA HPR 14.4928
50 4RIF 3R2 16.6667
51 3BWN PMP 18.8406
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