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Receptor
PDB id Resolution Class Description Source Keywords
4M00 2.05 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE LIGAND BINDING REGION OF STAPHYLOCO ADHESION SRAP STAPHYLOCOCCUS AUREUS ALL BETA ADHESION CARBOHYDRATE/SUGAR BINDING CELL ADHESIO
Ref.: STRUCTURAL INSIGHTS INTO SRAP-MEDIATED STAPHYLOCOCC ADHESION TO HOST CELLS PLOS PATHOG. V. 10 04169 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:802;
A:801;
A:803;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MES A:805;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
SUC A:804;
Valid;
none;
submit data
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4M00 2.05 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE LIGAND BINDING REGION OF STAPHYLOCO ADHESION SRAP STAPHYLOCOCCUS AUREUS ALL BETA ADHESION CARBOHYDRATE/SUGAR BINDING CELL ADHESIO
Ref.: STRUCTURAL INSIGHTS INTO SRAP-MEDIATED STAPHYLOCOCC ADHESION TO HOST CELLS PLOS PATHOG. V. 10 04169 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 4M00 - SUC C12 H22 O11 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 391 families.
1 4M00 - SUC C12 H22 O11 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 298 families.
1 4M00 - SUC C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SUC; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 SUC 1 1
2 SWE 1 1
3 RAF 0.736842 0.972973
4 STW 0.724138 0.972973
5 SUP 0.701754 0.8
6 DQR 0.666667 0.972973
7 NYT 0.612903 0.972973
8 FNY 0.612903 0.972973
9 20S 0.534247 0.8
10 SUC GLA 0.5 0.921053
11 AGR 0.467532 0.782609
12 TRE 0.42 0.864865
13 AMG 0.411765 0.789474
14 MMA 0.411765 0.789474
15 GYP 0.411765 0.789474
16 MBG 0.411765 0.789474
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4M00; Ligand: SUC; Similar sites found with APoc: 232
This union binding pocket(no: 1) in the query (biounit: 4m00.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4DHY GLC 1.0661
2 3FSJ D7K 1.13636
3 3V1Y NAD 1.18694
4 2RAB FAD 1.2959
5 4IPE ANP 1.47874
6 5THY SAH 1.48148
7 5THZ SAH 1.48148
8 2Z6J FMN 1.50602
9 3D1R FBP 1.66359
10 4HA6 FAD 1.66359
11 4Z24 FAD 1.66359
12 4A0S NAP 1.66359
13 2JAJ D20 1.7301
14 2WET FAD 1.76125
15 6AM8 PLT 1.76768
16 6AMI TRP 1.76768
17 1XG5 NAP 1.79211
18 6CUZ FEV 1.80412
19 3A4V PYR 1.89274
20 3A4V NAD 1.89274
21 4ZUL UN1 1.94932
22 5JCM NAD 1.99557
23 1Y8Q ATP 2.03327
24 4JB1 FAD 2.03327
25 4JB1 NAP 2.03327
26 1CZA G6P 2.03327
27 1ELI PYC 2.05656
28 1BZL FAD 2.05761
29 3NJ4 NAD 2.06897
30 4TQG NDP 2.16718
31 4QYS PLP SEP 2.26244
32 4QYS PLR 2.26244
33 1VI2 NAD 2.33333
34 6CEP NAD 2.40296
35 5AHS FAD 2.40296
36 1NPD NAD 2.43056
37 4EDK GTP 2.43161
38 3H4T UDP 2.47525
39 1UWK NAD 2.51346
40 1UWK URO 2.51346
41 1LDN NAD 2.53165
42 3A4T SFG 2.55474
43 2YY7 NAD 2.5641
44 2OEM 1AE 2.5878
45 4Z87 5GP 2.5878
46 1ZPD DPX 2.5878
47 5W5R PYR 2.63158
48 5TQZ GLC 2.66667
49 5NUF NAD 2.71084
50 3ABI NAD 2.73973
51 1DJN ADP 2.77264
52 2ZJ1 ARJ 2.82828
53 2ZJ1 NAD 2.82828
54 1EZ4 NAD 2.83019
55 1XKQ NDP 2.85714
56 4UP3 FAD 2.86624
57 1GV0 NAD 2.90323
58 5EJ2 NAD 2.92208
59 5M67 ADE 2.92276
60 5M67 NAD 2.92276
61 5A5W GUO 2.95749
62 6F3M NAD 2.95749
63 5HSA FAS 2.95749
64 4MO2 FDA 2.98913
65 4MO2 FAD 2.98913
66 3RFV 15L 2.99625
67 2VAP GDP 3.02198
68 1E6W NAD 3.07692
69 5A1S FLC 3.125
70 3VY6 BGC BGC 3.14233
71 1P77 ATR 3.14233
72 2YAK OSV 3.15789
73 3C3N FMN 3.20513
74 3FB4 AP5 3.24074
75 2AG5 NAD 3.25203
76 1D4O NAP 3.26087
77 1FEC FAD 3.26531
78 1I1E DM2 3.32717
79 6APL C5P 3.32717
80 1ZBQ NAD 3.36391
81 1GQG DCD 3.42857
82 2HMT NAI 3.47222
83 3S1S SAH 3.51201
84 1X87 NAD 3.51201
85 4H03 LAR 3.51201
86 4H03 ATP 3.51201
87 5A1T NAI 3.51906
88 2V6A CAP 3.57143
89 2V68 CAP 3.57143
90 2V63 CAP 3.57143
91 1YS4 NAP 3.67232
92 1UZD CAP 3.73134
93 1FFU FAD 3.83275
94 1NFQ NAI 3.84615
95 5YSQ INS 3.84615
96 1RP0 AHZ 3.87324
97 3AXK NDP 3.87597
98 4EU7 COA 3.8817
99 4EU7 CIT 3.8817
100 2NXW TPP 3.8817
101 2ZXI FAD 3.8817
102 1R27 MGD 3.90625
103 6F97 FAD 3.9548
104 3HDY FAD 4.03023
105 4OOE FOM 4.06654
106 4OOE NDP 4.06654
107 5OC1 FAD 4.06654
108 3FPZ AHZ 4.06654
109 1IY8 NAD 4.11985
110 4FN4 NAD 4.25139
111 4LY9 S6P 4.25139
112 4LY9 1YY 4.25139
113 1R37 NAD 4.25139
114 5ZZ6 ADP 4.32692
115 4UTW RFW 4.36681
116 6F9Q NAD 4.41176
117 1LYX PGA 4.43548
118 1E3W NAD 4.5977
119 1S3G AP5 4.60829
120 3A28 NAD 4.65116
121 5O98 NAP 4.73186
122 4YNU LGC 4.80591
123 6CI9 NAP 4.80591
124 1GUZ NAD 4.83871
125 5EYP GTP 4.94382
126 5XJ7 87O 4.97512
127 1O94 ADP 4.99076
128 2W41 ADP 4.99076
129 4G5H UD7 4.99076
130 4G5H NAP 4.99076
131 3CB2 GDP 5.05263
132 2DVZ GLU 5.09554
133 1U1I NAD 5.10204
134 1HYE NAP 5.11182
135 5WQP NAP 5.12821
136 2OOR NAD 5.17241
137 2HJR APR 5.1756
138 5G5G MCN 5.1756
139 4ITU 1HS 5.36044
140 2XVF FAD 5.38793
141 3FG2 FAD 5.44554
142 3WCS MAN NAG GAL 5.51181
143 3WCS MAN NAG 5.51181
144 5KDS A2G THR ALA PRO GLY GLY NAG SIA 5.54529
145 3W8X FTK 5.55556
146 3W8X FAD 5.55556
147 5YRM BGC GLC 5.6338
148 5YRL GLC GLC 5.6338
149 5YRG BGC GLC 5.6338
150 5YRI GLC GLC 5.6338
151 5YRJ BGC GLC 5.6338
152 5YRF GLC GLC 5.6338
153 4UOX PLP 5.73013
154 5KTC COA 5.85106
155 5KTC FUH 5.85106
156 5YEE ATP 5.88235
157 4GKV NAD 5.95238
158 2CM4 RCL 6
159 4LTN NAI 6.09137
160 4LTN FMN 6.09137
161 4C3Y ANB 6.09982
162 4C3Y FAD 6.09982
163 5YU3 PRO 6.10465
164 5YU3 NAD 6.10465
165 5KXE 6Y2 6.17284
166 3ITJ FAD 6.21302
167 3R51 MMA 6.25
168 4EI7 GDP 6.28466
169 4WXJ GLU 6.3197
170 2FLI DX5 6.36364
171 3VC3 C6P 6.39535
172 3ZV6 NAD 6.40569
173 3ZV6 4HB 6.40569
174 3VPH NAD 6.45161
175 3GD4 NAD 6.45793
176 3GD4 FAD 6.45793
177 3H8V ATP 6.50685
178 3ZBQ GDP 6.60661
179 2Q1W NAD 6.60661
180 2DUR MAN MAN 6.65434
181 3NC9 TR3 6.70927
182 5Z75 NAD 6.72783
183 1BXG NAD 6.74157
184 2BFR ADP 6.77083
185 3BF1 ADP 6.82731
186 2GDZ NAD 7.11611
187 1ZEM NAD 7.25191
188 4RKX 3S9 7.27969
189 4ZNO SUC 7.46269
190 2WUF KEM 7.56014
191 4L8V NAP 7.71513
192 5N2I NAP 7.75862
193 4MRT COA 7.77778
194 1O6Z NAD 7.92079
195 6AYU F6P 8.06916
196 1XHL NDP 8.08081
197 4QIJ 1HA 8.08383
198 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 8.13008
199 1J0X NAD 8.13253
200 2HYR BGC GLC 8.19672
201 2GUC MAN 8.19672
202 2GUD MAN 8.19672
203 2NU5 NAG 8.19672
204 2HYQ MAN MAN 8.19672
205 2NUO BGC 8.19672
206 2GUD BMA 8.19672
207 2GUE NAG 8.19672
208 1GEG NAD 8.20312
209 4RPL 3UC 8.31793
210 4RPL FAD 8.31793
211 1Z2I NAD 8.65922
212 1BXK NAD 8.73239
213 3M54 SAH 8.81226
214 2F69 SAH 8.81226
215 4J8O SAH 8.81226
216 5TWB FAD 9.01163
217 3ZEI AWH 9.03226
218 4JBI NDP 9.18919
219 2XBP ATP 10.6195
220 5LU5 M7P 10.6599
221 2BEK ATP 10.8949
222 1LTH NAD 10.9718
223 5THQ NDP 11.3971
224 1KQF MGD 11.5207
225 4WVO 3UZ 11.6022
226 5TZO 7V7 13.2979
227 4KM2 TOP 15.0838
228 1ZIN AP5 15.6682
229 2F5Z FAD 17.1875
230 2BTO GTP 20.3704
231 5H5F SAM 23.9316
232 5XFH NAG MAN BMA MAN NAG GAL 26.8966
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