Receptor
PDB id Resolution Class Description Source Keywords
2P2V 1.85 Å EC: 2.4.99.- CRYSTAL STRUCTURE ANALYSIS OF MONOFUNCTIONAL ALPHA-2,3- SIALYLTRANSFERASE CST-I FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI MIXED ALPHA-BETA TRANSFERASE
Ref.: STRUCTURAL ANALYSIS OF THE ALPHA-2,3-SIALYLTRANSFERASE CST-I FROM CAMPYLOBACTER JEJUNI IN APO AND SUBSTRATE-ANALOGUE BOUND FORMS. BIOCHEMISTRY V. 46 7196 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:800;
Invalid;
none;
submit data
35.453 Cl [Cl-]
CSF A:1001;
Valid;
none;
submit data
632.442 C20 H30 F N4 O16 P CC(=O...
EDO A:701;
A:702;
A:703;
A:704;
A:705;
A:706;
A:707;
A:708;
A:709;
A:710;
A:711;
A:712;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P2V 1.85 Å EC: 2.4.99.- CRYSTAL STRUCTURE ANALYSIS OF MONOFUNCTIONAL ALPHA-2,3- SIALYLTRANSFERASE CST-I FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI MIXED ALPHA-BETA TRANSFERASE
Ref.: STRUCTURAL ANALYSIS OF THE ALPHA-2,3-SIALYLTRANSFERASE CST-I FROM CAMPYLOBACTER JEJUNI IN APO AND SUBSTRATE-ANALOGUE BOUND FORMS. BIOCHEMISTRY V. 46 7196 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2P2V - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2P2V - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2P2V - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
2 2X62 - CH C9 H15 N3 O8 P [P+](OCC1O....
3 1RO8 - C5P C9 H14 N3 O8 P C1=CN(C(=O....
4 2X63 - C C9 H14 N3 O8 P C1=CN(C(=O....
5 2X61 - CH C9 H15 N3 O8 P [P+](OCC1O....
6 2WQQ - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CSF; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 CSF 1 1
2 FN5 0.639344 1
3 C5P SIA 0.576923 0.923077
4 C2G 0.513043 0.909091
5 CDP 0.504587 0.871795
6 CTP 0.491071 0.871795
7 CDM 0.479339 0.876543
8 C5P 0.476636 0.858974
9 CAR 0.476636 0.858974
10 C 0.476636 0.858974
11 7XL 0.474138 0.897436
12 C5G 0.451613 0.922078
13 PMT 0.448529 0.835294
14 CXY 0.448 0.922078
15 CDC 0.447154 0.772727
16 CDP MG 0.434783 0.814815
17 1AA 0.421053 0.864198
18 GPC 0.410959 0.848837
19 C C 0.4 0.858974
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2P2V; Ligand: CSF; Similar sites found: 293
This union binding pocket(no: 1) in the query (biounit: 2p2v.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BY8 MLT 0.003091 0.47759 None
2 2QLX RM4 0.02189 0.43403 None
3 1ECM TSA 0.01149 0.42779 None
4 3RF4 FUN 0.01703 0.42441 None
5 1X1T NAD 0.00001808 0.4256 0.769231
6 3A1I UNU 0.004244 0.4425 1.04167
7 1K27 MTM 0.0002288 0.42606 1.06007
8 2BTM PGA 0.01985 0.40795 1.19048
9 1PEA ACM 0.04372 0.42371 1.38889
10 1EYE PMM 0.014 0.4158 1.42857
11 1BDB NAD 0.0000007618 0.4579 1.44404
12 1O9U ADZ 0.002903 0.49464 1.73611
13 4N02 FNR 0.000001113 0.43741 1.73611
14 1V6A TRE 0.0117 0.43694 1.73611
15 3SHR CMP 0.008986 0.4282 1.73611
16 2GGH NLQ 0.000000441 0.42083 1.73611
17 4P4T GDP 0.01047 0.40699 1.73611
18 4LCQ URQ 0.0000007 0.40279 1.73611
19 2Y7G AAE 0.01228 0.41091 1.77305
20 3I9U DTU 0.01634 0.41203 1.90114
21 1WVC CTP 0.00004174 0.42433 1.9305
22 4COQ SAN 0.01297 0.44003 2.02429
23 2IZ1 ATR 0.001012 0.49477 2.08333
24 3K37 BCZ 0.000006591 0.44076 2.08333
25 1OYB FMN 0.0006812 0.43702 2.08333
26 4Q3S X7A 0.0006878 0.42506 2.08333
27 1HV9 UD1 0.0004518 0.41727 2.08333
28 2X1E X1E 0.02237 0.41195 2.08333
29 1FWY UD1 0.00082 0.40957 2.08333
30 4OYA 1VE 0.0004193 0.40675 2.08333
31 2RHW C0E 0.00001372 0.42145 2.12014
32 3LTW HLZ 0.008675 0.44868 2.14286
33 3SJU NDP 0.00162 0.40332 2.15054
34 1JA9 NDP 0.0000619 0.4115 2.18978
35 3RO7 TDR 0.000396 0.40577 2.26415
36 1LPD ADE 0.01403 0.41142 2.3622
37 1ONX ASP 0.00001726 0.47936 2.43056
38 2WL9 MBD 0.0000378 0.47664 2.43056
39 1YBQ BDH 0.000003407 0.46869 2.43056
40 2IMP NAI 0.000002071 0.45281 2.43056
41 3ZPG 5GP 0.04052 0.43136 2.43056
42 3FPZ AHZ 0.00001702 0.43088 2.43056
43 1CKM GTP 0.0123 0.42647 2.43056
44 3IU9 T07 0.000006987 0.42517 2.43056
45 1E1O LYS 0.001441 0.41912 2.43056
46 3V91 UPG 0.00000622 0.41665 2.43056
47 1BGV GLU 0.0001413 0.41501 2.43056
48 1LTH NAD 0.00004036 0.40898 2.43056
49 3OYZ ACO 0.000347 0.40842 2.43056
50 1UNB AKG 0.0001074 0.40662 2.43056
51 1SJD NPG 0.004385 0.40567 2.43056
52 1U5R ATP 0.01689 0.40527 2.43056
53 1XP8 AGS 0.00001799 0.40307 2.43056
54 2YLN CYS 0.007601 0.43472 2.4735
55 3IPQ 965 0.001392 0.40799 2.4735
56 2PVQ GSH 0.007709 0.41555 2.48756
57 2EB5 OXL 0.01192 0.44184 2.62172
58 1ZJ6 G3D 0.0117 0.41914 2.6738
59 1A5Z OXM 0.00004799 0.5806 2.77778
60 3VGL BGC 0.00000182 0.50187 2.77778
61 2YP9 SIA CMO 0.00008596 0.49534 2.77778
62 1A5Z FBP 0.0001454 0.47377 2.77778
63 4E28 9MZ 0.007565 0.45162 2.77778
64 2WLT ASP 0.00007727 0.45043 2.77778
65 4E28 0MZ 0.01183 0.43671 2.77778
66 1PJ6 FOL 0.00000716 0.43385 2.77778
67 4A8H PUW 0.0002527 0.42937 2.77778
68 3I0O SMI 0.0258 0.42038 2.77778
69 4A3R CIT 0.000001935 0.41012 2.77778
70 1G41 ADP 0.000006288 0.409 2.77778
71 3VGL ANP 0.0003378 0.40747 2.77778
72 4A8T PAO 0.00005887 0.40705 2.77778
73 3I0O ADP 0.0324 0.40361 2.77778
74 4KOA NDP 0.01639 0.40255 2.77778
75 1ZK4 AC0 0.000002719 0.44997 2.78884
76 1ZK4 NAP 0.000002719 0.44997 2.78884
77 1QDS PGA 0.007509 0.43163 2.78884
78 2FH5 GTP 0.007397 0.40957 2.80374
79 2ZO9 MLI 0.0003848 0.48522 2.91971
80 4FFS BIG 0.005469 0.40521 2.92887
81 1J2Z SOG 0.002402 0.43758 2.96296
82 2GN2 C5P 0.00008265 0.49329 3.125
83 4B9E FAH 0.01582 0.44128 3.125
84 3QV9 QV7 0.01004 0.44012 3.125
85 4KCT FDP 0.005101 0.43456 3.125
86 2BJK NAD 0.000005236 0.42321 3.125
87 1RZM E4P 0.04084 0.42 3.125
88 4KCT PYR 0.01821 0.41873 3.125
89 3I8P 840 0.01006 0.41443 3.125
90 1QD0 RR6 0.01511 0.41438 3.125
91 3SUC ATP 0.000001554 0.41382 3.125
92 1HDG NAD 0.00225 0.41261 3.125
93 2Q37 3AL 0.039 0.41167 3.125
94 4QN7 G39 0.000001591 0.41116 3.125
95 1RZM PEP 0.03402 0.41031 3.125
96 3IAE D7K 0.00105 0.40903 3.125
97 1Q11 TYE 0.04949 0.40261 3.125
98 3DJL FAD 0.0003096 0.40068 3.125
99 1EDO NAP 0.000006842 0.4338 3.27869
100 3I51 45C 0.002507 0.44772 3.33333
101 2QCX PF1 0.04317 0.40951 3.42205
102 2Z5Y HRM 0.00001179 0.47623 3.47222
103 4GQB 0XU 0.000000152 0.45637 3.47222
104 2Z9V PXM 0.005765 0.44632 3.47222
105 1LDM NAD 0.000004812 0.43372 3.47222
106 1SAY PYR 0.0001607 0.42485 3.47222
107 1DXY NAD 0.00006791 0.42303 3.47222
108 4PQG NAG 0.01409 0.41134 3.47222
109 1QZZ SAM 0.01536 0.41042 3.47222
110 1KTC NGA 0.03439 0.41009 3.47222
111 4IVG ANP 0.00003 0.40391 3.47222
112 4BC5 5FX 0.0355 0.40066 3.47222
113 1VF1 GSH 0.00326 0.42656 3.49345
114 1WKL ADP 0.00008371 0.41304 3.64964
115 1WKL ATP 0.00001102 0.411 3.64964
116 1A8S PPI 0.001157 0.46459 3.663
117 5DRN 5CT 0.04725 0.43073 3.72093
118 4TMK T5A 0.00001497 0.44837 3.75587
119 1Y42 TYR 0.004129 0.45305 3.81944
120 2Q09 DI6 0.003234 0.45266 3.81944
121 1TV5 N8E 0.001067 0.44526 3.81944
122 1TV5 A26 0.0007191 0.43986 3.81944
123 3PLN U5P 0.01112 0.43304 3.81944
124 1TV5 ORO 0.005163 0.42429 3.81944
125 4LHM AZZ 0.0269 0.4195 3.81944
126 1TV5 FMN 0.0001965 0.40375 3.81944
127 1TFZ 869 0.01158 0.40221 3.81944
128 1I2B NAD 0.0000548 0.43846 3.9604
129 1I2B USQ 0.0000548 0.43846 3.9604
130 1I2B UPG 0.0000548 0.43846 3.9604
131 1VBO MAN MAN MAN 0.01593 0.41097 4.02685
132 1QO0 BMD 0.01915 0.4316 4.08163
133 3CI3 5AD 0.00193 0.40627 4.12371
134 3CI3 3PO 0.00193 0.40627 4.12371
135 2Y7P SAL 0.001709 0.47083 4.12844
136 1Q3Q ANP 0.0000006146 0.44777 4.16667
137 3MAG 3MA 0.02869 0.44665 4.16667
138 3JQ3 ADP 0.004844 0.43998 4.16667
139 4AF0 IMP 0.0000008914 0.43367 4.16667
140 3TI8 LNV 0.00002178 0.43353 4.16667
141 1T10 F6P 0.02197 0.42375 4.16667
142 1XMV ADP 0.00001012 0.41528 4.16667
143 2GJ3 FAD 0.00008326 0.41295 4.16667
144 3MAG SAH 0.006306 0.41218 4.16667
145 1EB9 HBA 0.01641 0.41284 4.19847
146 3NOJ PYR 0.000605 0.49505 4.20168
147 2C2A ADP 0.01219 0.40766 4.26357
148 1FX8 BOG 0.00001623 0.52117 4.27046
149 3QVL 5HY 0.000004789 0.41243 4.4898
150 1UGX GAL MGC 0.000008322 0.48101 4.51128
151 3UXL CFI 0.000005632 0.44834 4.51389
152 1JQ5 NAD 0.00004989 0.44143 4.51389
153 3Q3C NAD 0.000008933 0.41756 4.51389
154 4KS1 2H8 0.000005183 0.41365 4.51389
155 4BG4 ARG 0.02079 0.41198 4.51389
156 1FNZ A2G 0.00001955 0.49608 4.64135
157 2Y6P CTP 0.001356 0.46421 4.70085
158 1BTN I3P 0.03472 0.45151 4.71698
159 2XD9 XD9 0.00004291 0.44591 4.79042
160 2BLE 5GP 0.0000001911 0.46144 4.86111
161 1T26 NAI 0.000007592 0.44788 4.86111
162 1T26 GBD 0.000007592 0.44788 4.86111
163 3NKT 1HN 0.0004212 0.43367 4.86111
164 3HB5 E2B 0.0007663 0.43172 4.86111
165 2YYJ FAD 0.0001978 0.40666 4.86111
166 2YYJ 4HP 0.0001978 0.40666 4.86111
167 2RHQ GAX 0.007277 0.40371 4.86111
168 1Y0L HAN 0.03054 0.44508 4.86726
169 1XE7 GUN 0.0292 0.43931 4.92611
170 1GEE NAD 0.001819 0.4044 4.98084
171 4OWK NGA 0.02614 0.40022 5.07246
172 1FW1 GSH 0.01673 0.40886 5.09259
173 4QN6 LNV 0.00000795 0.45147 5.20833
174 1YBH FAD 0.000007517 0.44385 5.20833
175 1ZFJ IMP 0.00006022 0.42674 5.20833
176 1XX4 BAM 0.003163 0.46124 5.36398
177 1XK5 TPG 0.03008 0.40286 5.39216
178 1GXU 2HP 0.00174 0.42608 5.49451
179 3L02 CP 0.0001118 0.43532 5.55556
180 3L02 SN0 0.0001118 0.43532 5.55556
181 4GZP G39 0.00005164 0.42377 5.55556
182 1GR0 NAD 0.00002554 0.42365 5.55556
183 1NVV GNP 0.00001914 0.41237 5.55556
184 1NVU GTP 0.00002324 0.41051 5.55556
185 3DGB MUC 0.02427 0.40553 5.55556
186 3AIQ HBO 0.00009201 0.40463 5.55556
187 4K30 NLG 0.01772 0.4236 5.625
188 1G8S MET 0.006259 0.4557 5.65217
189 1I9G SAM 0.000005533 0.41593 5.71429
190 4JWX 1N4 0.03572 0.40931 5.71429
191 1OFH ADP 0.00001048 0.42122 5.74713
192 4PTZ FMN 0.006993 0.41377 5.75916
193 1T0S BML 0.01446 0.41596 5.81395
194 1SS4 CIT 0.00207 0.54674 5.88235
195 1SS4 GSH 0.01781 0.47377 5.88235
196 3C2O NTM 0.00001317 0.44062 5.90278
197 1JQN DCO 0.00006248 0.43954 5.90278
198 1GSA ADP 0.000001862 0.42797 5.90278
199 1KW6 BPY 0.00001155 0.42315 5.90278
200 1GSA GSH 0.000006459 0.40827 5.90278
201 4DYO SD4 0.04063 0.40282 5.90278
202 3S9K CIT 0.04285 0.44864 5.9322
203 2ET1 GLV 0.00000904 0.44667 5.97015
204 2FWP ICR 0.000002887 0.40375 6.01093
205 4IEN COA 0.0005818 0.414 6.13497
206 4IEN GDP 0.001904 0.41064 6.13497
207 4G1V FAD 0.00004382 0.42958 6.25
208 2WMO GTP 0.005771 0.42814 6.25
209 1Z44 FMN 0.01172 0.41532 6.25
210 1Z41 FMN 0.01655 0.40563 6.25
211 2Q28 ADP 0.009825 0.40491 6.25
212 5T63 ALA ALA ALA ALA 0.007732 0.40277 6.25
213 1RP0 AHZ 0.0000007273 0.45649 6.33803
214 1XIU REA 0.007462 0.41611 6.52174
215 4OB6 S2T 0.00684 0.42123 6.59722
216 2EJU SAH 0.01405 0.40206 6.59722
217 1N6B DMZ 0.000006761 0.40062 6.59722
218 1RSD PSB 0.000436 0.42711 6.61157
219 1W7J ADP BEF 0.01373 0.40561 6.62252
220 1Y75 NAG 0.03203 0.40756 6.77966
221 2FR6 URI 0.001852 0.43603 6.84932
222 2FR6 CTN 0.007249 0.41317 6.84932
223 3PHQ KDO 0.004371 0.50943 6.91244
224 2C9O ADP 0.00006268 0.44279 6.94444
225 1P4C FMN 0.000008667 0.42966 6.94444
226 2QV7 ADP 0.004791 0.4275 6.94444
227 1H0C AOA 0.03308 0.42475 6.94444
228 2IYG FMN 0.003434 0.44189 7.25806
229 3NGU ADP 0.00064 0.46779 7.28477
230 1V5F TPP 0.0006055 0.41756 7.29167
231 1V5F FAD 0.0006055 0.41756 7.29167
232 1YRX FMN 0.01036 0.41391 7.43802
233 3OIG NAD 0.000005652 0.42825 7.5188
234 3KMT SAH 0.01361 0.41261 7.56302
235 3OCZ SRA 0.004977 0.42306 7.63359
236 2RDT 2RD 0.000001673 0.44618 7.63889
237 2RDT FMN 0.000001573 0.43642 7.63889
238 1AL8 FMN 0.000001792 0.43048 7.63889
239 2OWZ F6P 0.0000009144 0.42221 7.63889
240 2BII MTV 0.00293 0.41475 7.63889
241 1ZS6 ADP 0.02118 0.41575 7.69231
242 2BGM NAJ 0.000004014 0.42954 7.91367
243 4CCO OGA 0.03697 0.40861 7.98611
244 2ORV 4TA 0.006126 0.40067 8.11966
245 1SJW NGV 0.009865 0.41478 8.33333
246 2NLI FMN 0.0000176 0.40894 8.33333
247 2NLI LAC 0.0000176 0.40894 8.33333
248 4CMF PXG 0.00002225 0.40673 8.33333
249 2PP3 LGT 0.003605 0.4016 8.33333
250 3KJQ B94 0.007966 0.42629 8.42105
251 4RJK PYR 0.03689 0.42768 9.02778
252 1ULE GLA GAL NAG 0.02176 0.42884 9.33333
253 2PN6 GLN 0.0001821 0.40205 9.33333
254 1MZV AMP 0.01188 0.42287 9.3617
255 2NCD ADP 0.006308 0.4498 9.375
256 2BJF DXC 0.000005078 0.44358 9.375
257 1V8K ANP 0.000007619 0.47396 9.72222
258 1P1M MET 0.0009412 0.43566 9.72222
259 3GX0 GDS 0.007758 0.40879 9.76744
260 2BH9 NAP 0.01655 0.40563 10.4167
261 4F4S EFO 0.01022 0.43476 10.5263
262 2F2U M77 0.004959 0.43954 10.7639
263 4QCK ASD 0.00005215 0.46761 11.1111
264 2JBH 5GP 0.00619 0.43994 11.1111
265 1MXI SAH 0.002229 0.43293 11.25
266 1ME8 RVP 0.000000002653 0.52214 11.4583
267 43CA NPO 0.04889 0.44232 11.5044
268 3P3N AKG 0.006019 0.45654 11.8056
269 2WA4 069 0.005829 0.43208 11.8056
270 1N9L FMN 0.00884 0.40984 11.9266
271 2PR5 FMN 0.004026 0.42303 12.1212
272 1WDA BAG 0.0103 0.42994 12.5
273 1EXB NDP 0.000007399 0.43471 12.6214
274 1K97 CIR 0.000001938 0.45511 12.967
275 1K97 ASP 0.000001938 0.45511 12.967
276 1ZZ7 S0H 0.005386 0.44769 13.1313
277 4BLW SAH 0.0034 0.4108 13.1944
278 4M51 BEZ 0.01111 0.45553 13.5417
279 2WZF BGC 0.02632 0.40603 13.5417
280 3KPE TM3 0.001388 0.488 13.7255
281 3A2Y TS5 0.01048 0.41026 14.2132
282 1SQ5 PAU 0.02877 0.41374 14.2361
283 4FUA PGH 0.00007771 0.45784 14.4186
284 2OFE NAG 0.007857 0.45081 14.7887
285 4BPM GSH 0.003153 0.40768 15.1685
286 4C81 CDP 0.001118 0.43852 15.2174
287 3F81 STT 0.01416 0.45674 15.847
288 2E1A MSE 0.01082 0.42897 16
289 2R5T ANP 0.008143 0.40491 16.3194
290 2P8B NSK 0.00002694 0.44016 18.75
291 4IAE 1DX 0.00002609 0.40787 22.7513
292 4PNO U5P 0.000535 0.47102 26.3889
293 1LNX URI 0.007678 0.44054 41.9753
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