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Receptor
PDB id Resolution Class Description Source Keywords
5SWI 2.15 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF SPGH92 IN COMPLEX WITH MANNOSE STREPTOCOCCUS PNEUMONIAE BETA SANDWICH (ALPHA/ALPHA)6 BARREL GLYCOSIDE HYDROLASE H
Ref.: MOLECULAR CHARACTERIZATION OF N-GLYCAN DEGRADATION TRANSPORT IN STREPTOCOCCUS PNEUMONIAE AND ITS CONTR TO VIRULENCE. PLOS PATHOG. V. 13 06090 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL D:702;
B:705;
B:702;
A:701;
A:704;
A:706;
A:707;
B:704;
A:702;
D:701;
A:703;
B:703;
C:702;
C:701;
D:703;
A:705;
Invalid;
Invalid;
Invalid;
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;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CA B:701;
A:709;
C:704;
D:705;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
BMA C:703;
A:708;
B:706;
D:704;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5SWI 2.15 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF SPGH92 IN COMPLEX WITH MANNOSE STREPTOCOCCUS PNEUMONIAE BETA SANDWICH (ALPHA/ALPHA)6 BARREL GLYCOSIDE HYDROLASE H
Ref.: MOLECULAR CHARACTERIZATION OF N-GLYCAN DEGRADATION TRANSPORT IN STREPTOCOCCUS PNEUMONIAE AND ITS CONTR TO VIRULENCE. PLOS PATHOG. V. 13 06090 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 5SWI - BMA C6 H12 O6 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5SWI - BMA C6 H12 O6 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 5SWI - BMA C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BMA; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5SWI; Ligand: BMA; Similar sites found with APoc: 53
This union binding pocket(no: 1) in the query (biounit: 5swi.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1NIU DCS 1.28866
2 1DY4 SNP 1.38249
3 1GZ4 ATP 1.63339
4 1WVG CXY 1.67131
5 1J0D 5PA 1.75953
6 1RM0 NAI 1.87617
7 5Z49 RUB 2.09205
8 2GZ3 NAP 2.18579
9 4POW OP1 2.26415
10 1XPK CAA 2.57732
11 1XPK HMG 2.57732
12 5YU3 PRO 2.61628
13 5YU3 NAD 2.61628
14 2IYA ZIO 3.06604
15 5FAG PPI 3.17073
16 3LPP KTL 3.20781
17 6A4R ASP 3.39623
18 4LA7 A1O 3.62694
19 4H4D 10E 3.71517
20 5ZZ6 NAD 3.84615
21 1QXO FMN 3.86598
22 1ZQ9 SAM 4.21053
23 3RL3 5GP 4.39189
24 3PGU OLA 4.44965
25 1WBI BTN 4.65116
26 4OOE FOM 5.19802
27 1LGT BP3 5.38721
28 2D0V PQQ 5.55556
29 3DUV KDO 5.72519
30 5IN4 GDP 6.04396
31 5UR6 8KM 6.07735
32 4WVO 3UZ 6.07735
33 6FL8 ADP 6.38298
34 6FL8 TIY 6.38298
35 1N7G GDR 6.56168
36 3K8D KDO 6.81818
37 5EQ0 5R0 PHE ALA LEU ELY 5R5 7.27273
38 1IXE CIT 7.42706
39 1VM6 NAD 7.45614
40 2VDV SAM 7.72358
41 1NAA ABL 7.7634
42 1SWG BTN 8.59375
43 4CPH LH4 8.66142
44 4KAX GTP 8.69565
45 5NEA 8V8 9.23077
46 3SXN COA 9.47867
47 4J4H NAI 9.65251
48 4J4H 1J1 9.65251
49 4WUP 3UF 11.1538
50 1GT4 UNA 13.2075
51 2V2V V12 15.4982
52 4BJ8 BTN 18.254
53 4S1B 2BA 35.1351
Pocket No.: 2; Query (leader) PDB : 5SWI; Ligand: BMA; Similar sites found with APoc: 20
This union binding pocket(no: 2) in the query (biounit: 5swi.bio3) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5N6C NAD 1.33333
2 5FBN 5WF 1.84502
3 2YIC TPP 1.95258
4 3R5T VBN 2.29508
5 1XPM HMG 2.52525
6 3VYW SAM 2.92208
7 3UB7 ACM 3.31492
8 5E2N V14 4.18251
9 4BT5 23B 4.28016
10 5BYK OAQ 4.6332
11 5BYK A3P 4.6332
12 1Q0S SAH 4.6332
13 1WDT GTP 5.41353
14 5IE3 AMP 5.44747
15 5IE3 OXD 5.44747
16 5MW8 ATP 5.52017
17 1N7G NDP 6.56168
18 1N62 MCN 10.241
19 1LF9 ACR 15.9357
20 6AM8 PLT 16.1616
Pocket No.: 3; Query (leader) PDB : 5SWI; Ligand: BMA; Similar sites found with APoc: 8
This union binding pocket(no: 3) in the query (biounit: 5swi.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 1KAE NAD 1.15207
2 1YIQ PQQ 1.1611
3 3UER BTU 1.37405
4 3UER TUR 1.37405
5 1ULV ACR 2.23152
6 5ZCT ANP 3.59477
7 2W83 GTP 4.84848
8 4USS GSH 10.7692
Pocket No.: 4; Query (leader) PDB : 5SWI; Ligand: BMA; Similar sites found with APoc: 5
This union binding pocket(no: 4) in the query (biounit: 5swi.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5VRH OLC 3.06513
2 4R84 CSF 4.37376
3 3LU1 NAD 4.94506
4 5F3I 5UJ 5.83333
5 1YAG ATP 15.2
Pocket No.: 5; Query (leader) PDB : 5SWI; Ligand: BMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5swi.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5SWI; Ligand: BMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5swi.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5SWI; Ligand: BMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5swi.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5SWI; Ligand: BMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5swi.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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