Receptor
PDB id Resolution Class Description Source Keywords
1SSQ 1.85 Å EC: 2.3.1.30 SERINE ACETYLTRANSFERASE- COMPLEX WITH CYSTEINE HAEMOPHILUS INFLUENZAE LEFT-HANDED PARALLEL BETA HELIX TRANSFERASE
Ref.: STRUCTURE OF SERINE ACETYLTRANSFERASE IN COMPLEXES AND ITS CYSTEINE FEEDBACK INHIBITOR BIOCHEMISTRY V. 43 6013 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYS A:2000;
A:2001;
Valid;
Valid;
none;
none;
Ki = 1 uM
121.158 C3 H7 N O2 S C([C@...
MG A:4001;
D:4000;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SSQ 1.85 Å EC: 2.3.1.30 SERINE ACETYLTRANSFERASE- COMPLEX WITH CYSTEINE HAEMOPHILUS INFLUENZAE LEFT-HANDED PARALLEL BETA HELIX TRANSFERASE
Ref.: STRUCTURE OF SERINE ACETYLTRANSFERASE IN COMPLEXES AND ITS CYSTEINE FEEDBACK INHIBITOR BIOCHEMISTRY V. 43 6013 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1SST - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1SSQ Ki = 1 uM CYS C3 H7 N O2 S C([C@@H](C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1SST - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1SSQ Ki = 1 uM CYS C3 H7 N O2 S C([C@@H](C....
3 1T3D - CYS C3 H7 N O2 S C([C@@H](C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1SST - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1SSQ Ki = 1 uM CYS C3 H7 N O2 S C([C@@H](C....
3 4N69 - SER C3 H7 N O3 C([C@@H](C....
4 1T3D - CYS C3 H7 N O2 S C([C@@H](C....
5 4HZD - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CYS; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 CYS 1 1
2 DCY 1 1
3 DSN 0.65 0.84
4 SER 0.65 0.84
5 HCS 0.608696 0.916667
6 2RA 0.571429 0.807692
7 ABA 0.571429 0.75
8 DBB 0.571429 0.75
9 C2N 0.545455 0.791667
10 DAS 0.521739 0.703704
11 ASP 0.521739 0.703704
12 ASN 0.521739 0.612903
13 CSS 0.52 0.807692
14 HSE 0.5 0.75
15 DAB 0.5 0.777778
16 API 0.48 0.62069
17 AS2 0.48 0.692308
18 LEU 0.48 0.692308
19 CSO 0.48 0.677419
20 NVA 0.48 0.666667
21 GLU 0.444444 0.642857
22 DGL 0.444444 0.642857
23 GGL 0.444444 0.642857
24 DAL 0.428571 0.608696
25 ALA 0.428571 0.608696
26 ORN 0.428571 0.740741
27 NLE 0.413793 0.62069
28 3GC 0.405405 0.647059
29 DLY 0.4 0.714286
30 MED 0.4 0.666667
31 UN1 0.4 0.62069
32 11C 0.4 0.62069
33 MET 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SSQ; Ligand: CYS; 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: 1ssq.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1SSQ; Ligand: CYS; Similar sites found: 269
This union binding pocket(no: 2) in the query (biounit: 1ssq.bio1) has 54 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01002 0.47919 None
2 3KPE TM3 0.005097 0.45714 None
3 1UO4 PIH 0.04087 0.43513 None
4 1NU4 MLA 0.0435 0.43355 None
5 1A5V Y3 0.01261 0.43256 None
6 3SJ0 DXC 0.02977 0.42448 None
7 3TA2 AKG 0.002405 0.40014 None
8 1AX2 NDG GAL 0.0015 0.47026 1.25523
9 4MOB ADP 0.01377 0.43185 1.49813
10 2QGI UDP 0.01206 0.43349 1.6129
11 3F81 STT 0.009064 0.46457 1.63934
12 4IEN GDP 0.0008446 0.41886 1.84049
13 2WIC GNP 0.001161 0.42395 1.87266
14 2QDT I38 0.006695 0.4187 1.87266
15 1CBF SAH 0.007646 0.41638 1.87266
16 3SHR CMP 0.01481 0.41588 1.87266
17 4J7H TRH 0.005479 0.41153 1.87266
18 3JQ3 ADP 0.02538 0.40564 1.87266
19 2HVK TBA 0.01857 0.42954 1.88679
20 4DN8 BMA 0.00415 0.46152 1.92308
21 4COQ SAN 0.03888 0.41363 2.02429
22 1QB7 ADE 0.03164 0.40143 2.11864
23 2Q8H TF4 0.02907 0.43676 2.24719
24 3L6R MLI 0.0231 0.43013 2.24719
25 4CCN OGA 0.01879 0.42929 2.24719
26 3O03 GCO 0.006256 0.42375 2.24719
27 4LKK SIA GAL 0.004837 0.41698 2.24719
28 2F2U M77 0.01412 0.41679 2.24719
29 2EB5 OXL 0.03738 0.40651 2.24719
30 4UAL 3FV 0.01134 0.40608 2.24719
31 2CE7 ADP 0.01863 0.40418 2.24719
32 3P7I P7I 0.04428 0.40233 2.24719
33 2YP9 SIA CMO 0.01592 0.40191 2.24719
34 1EYQ NAR 0.01047 0.42679 2.25225
35 4B16 NAG 0.0003101 0.55591 2.25564
36 3I8T LBT 0.02616 0.41301 2.43902
37 1UAY ADN 0.01612 0.40679 2.47934
38 3UIE ANP 0.02348 0.40712 2.5
39 1FNZ A2G 0.0008458 0.43403 2.53165
40 3A2Y TS5 0.01307 0.40366 2.53807
41 3JQM GTP 0.01793 0.4163 2.54777
42 3CBG 4FE 0.02285 0.44968 2.58621
43 4O8A 2OP 0.0283 0.43741 2.62172
44 1V6A TRE 0.01041 0.43654 2.62172
45 2NZ2 ASP 0.0102 0.43195 2.62172
46 1PEA ACM 0.02793 0.43152 2.62172
47 1LTH FBP 0.03526 0.41574 2.62172
48 3VCA PRO 0.02924 0.41289 2.62172
49 3LTW HLZ 0.04113 0.41241 2.62172
50 2ZO9 MLI 0.0267 0.40285 2.62172
51 2Z1U ATP 0.01721 0.4022 2.62172
52 4WX0 HXD 0.008193 0.41517 2.6616
53 1ULE GLA GAL NAG 0.003337 0.48018 2.66667
54 2JBH 5GP 0.004101 0.445 2.66667
55 1DL7 NCH 0.01738 0.46491 2.75229
56 5DRN 5CT 0.03416 0.43616 2.77778
57 2Q3M MLA 0.003793 0.48524 2.99625
58 4WBD CIT 0.01523 0.44548 2.99625
59 4M5P MLA 0.04512 0.43263 2.99625
60 1OFL NGK GCD 0.01594 0.42568 2.99625
61 4WBD ADP 0.0323 0.42266 2.99625
62 3QV9 QV7 0.03034 0.41433 2.99625
63 1HK8 DGT 0.007086 0.41409 2.99625
64 2QF7 COA 0.01146 0.41291 2.99625
65 2Y7G AAE 0.01519 0.40438 2.99625
66 4QDF 30Q 0.003205 0.40021 2.99625
67 1Y7P RIP 0.01654 0.44358 3.13901
68 3GM5 CIT 0.02878 0.42013 3.14465
69 4IXW IXW 0.03614 0.40255 3.14961
70 1W3R PYR 0.0154 0.44521 3.24074
71 2PFC PLM 0.02379 0.40322 3.27869
72 2W24 LYS 0.002072 0.40216 3.33333
73 1TV5 A26 0.0001705 0.45872 3.37079
74 1TV5 N8E 0.0004921 0.4548 3.37079
75 1TV5 ORO 0.002697 0.43249 3.37079
76 1RYD GLC 0.01761 0.43068 3.37079
77 1P9B HDA 0.01382 0.43068 3.37079
78 3TFC PEP 0.01464 0.4247 3.37079
79 2HFK E4H 0.01489 0.42436 3.37079
80 3ZF8 GDP 0.01024 0.42286 3.37079
81 2JFV FLC 0.0262 0.42215 3.37079
82 3CEV ARG 0.01446 0.4205 3.37079
83 1LDM OXM 0.03009 0.40239 3.37079
84 1JSH SIA GAL 0.002652 0.41641 3.40909
85 4F8L GAL 0.02514 0.45529 3.44828
86 4OZJ ADP 0.001124 0.41046 3.4965
87 2VMD MBG 0.0009479 0.51807 3.50195
88 1JGS SAL 0.0316 0.44931 3.62319
89 1WKL ADP 0.004255 0.4191 3.64964
90 1WKL ATP 0.01247 0.40126 3.64964
91 1T0I FMN 0.01124 0.40297 3.66492
92 3ZPG 5GP 0.01366 0.45481 3.74532
93 3A16 PXO 0.01748 0.42007 3.74532
94 3CM2 X23 0.02204 0.41784 3.84615
95 2Q37 3AL 0.03086 0.41397 3.8674
96 4F4S EFO 0.004379 0.44887 3.94737
97 4AP9 1PS 0.003756 0.41764 3.9801
98 2BZ1 TAU 0.02886 0.45168 4.08163
99 4EXO PYR 0.03742 0.42474 4.10959
100 3NOJ PYR 0.0003161 0.50485 4.11985
101 2OWZ CIT 0.00598 0.45374 4.11985
102 2RCN GDP 0.005115 0.43598 4.11985
103 4KCT PYR 0.007737 0.43267 4.11985
104 3V1S 0LH 0.02521 0.42269 4.11985
105 2Q09 DI6 0.01593 0.41861 4.11985
106 3O2K QRP 0.02322 0.40734 4.11985
107 1Z4V DAN 0.02441 0.40274 4.11985
108 4LO6 SIA GAL 0.003295 0.4767 4.21053
109 2ALG DAO 0.04515 0.406 4.34783
110 3R51 MMA 0.04049 0.42879 4.375
111 1YOA FAD 0.007047 0.40131 4.40252
112 2O66 FLC 0.02444 0.41883 4.44444
113 1C3V PDC 0.00968 0.43803 4.4898
114 3TKA CTN 0.01262 0.47922 4.49438
115 3IHB TRS 0.0338 0.46383 4.49438
116 3IHB GLU 0.01438 0.44064 4.49438
117 3MAG 3MA 0.03372 0.43995 4.49438
118 3FKQ ATP 0.005971 0.417 4.49438
119 2NVK NAP 0.02699 0.41238 4.49438
120 2P69 PLP 0.04351 0.40677 4.49438
121 3SCH TB6 0.006446 0.45214 4.54545
122 2YDW WSH 0.02944 0.40281 4.57516
123 4HE2 AMP 0.00008141 0.43902 4.73373
124 2WMO GTP 0.008625 0.418 4.73684
125 1Q11 TYE 0.03477 0.40725 4.83871
126 4FGC PQ0 0.01316 0.43168 4.84848
127 3UDG TMP 0.005807 0.47514 4.86891
128 4B9E FAH 0.00597 0.46004 4.86891
129 1Z42 HBA 0.03731 0.44247 4.86891
130 1V1A KDG 0.001257 0.43341 4.86891
131 1RYI GOA 0.04269 0.43341 4.86891
132 1SQ5 PAU 0.01252 0.42784 4.86891
133 4C2G ALA ALA ALA ALA 0.0103 0.42711 4.86891
134 1HV9 COA 0.0005237 0.42561 4.86891
135 1HV9 UD1 0.0002075 0.42378 4.86891
136 4Q3S X7A 0.001562 0.41476 4.86891
137 2XI7 XI7 0.02165 0.45919 4.8913
138 1Y2W NAG 0.04176 0.41208 4.92958
139 2WQF FMN 0.01619 0.41034 4.9505
140 4NC7 I3C 0.02215 0.43106 5.05051
141 1JN2 SFP 0.003392 0.43469 5.06329
142 3S9K CIT 0.04915 0.43208 5.08475
143 4P9Z NMI PTR 02K ASN NH2 0.02028 0.41815 5.12821
144 3KYF 5GP 5GP 0.00437 0.43895 5.19481
145 3U1T MLI 0.007483 0.45506 5.24345
146 2YIV YIV 0.03066 0.42936 5.24345
147 4W6Z ETF 0.04511 0.42618 5.24345
148 2IZ1 ATR 0.03166 0.41807 5.24345
149 1GVF PGH 0.03393 0.40774 5.24345
150 1T10 F6P 0.04251 0.40726 5.24345
151 2ZE3 AKG 0.04567 0.40575 5.24345
152 3ULK NDP 0.005482 0.40519 5.24345
153 4M7F BM3 0.01423 0.40902 5.30973
154 1C3M MAN MAN 0.01842 0.40438 5.44218
155 4BI7 PGA 0.02223 0.41209 5.44747
156 1UNQ 4IP 0.04132 0.40601 5.6
157 2ZL4 ALA ALA ALA ALA 0.03629 0.4075 5.61225
158 2C5S AMP 0.009019 0.42969 5.61798
159 4UBP HAE 0.002166 0.42472 5.61798
160 3SIX GDP 0.01441 0.41249 5.61798
161 1FWY UD1 0.0005693 0.41092 5.61798
162 3FSY SCA 0.001343 0.43346 5.72289
163 1F5F DHT 0.0002635 0.46993 5.85366
164 1ZJ6 G3D 0.01214 0.41565 5.88235
165 3PLN U5P 0.01193 0.42882 5.99251
166 2XUM OGA 0.04048 0.41276 5.99251
167 2Y0I AKG 0.04525 0.40595 5.99251
168 1QH9 LAC 0.03958 0.41324 6.03448
169 2DTJ THR 0.01347 0.41768 6.17978
170 2BNE U5P 0.00006725 0.43326 6.22407
171 2BNF UTP 0.0002254 0.40609 6.22407
172 1A5Z OXM 0.005 0.47095 6.36704
173 2OHV NHL 0.02378 0.41078 6.43939
174 3U7Y FLC 0.02937 0.45096 6.55022
175 1BTN I3P 0.003954 0.50269 6.60377
176 1HQL GLA MBG 0.01194 0.44475 6.61479
177 3E81 SLB 0.03435 0.41173 6.70732
178 2ZWS PLM 0.00248 0.51525 6.74157
179 1G6O ADP 0.002531 0.4078 6.74157
180 1FQK ALF 0.04002 0.4097 6.80272
181 4AF5 CIT 0.03559 0.41554 6.84211
182 3I3X U22 0.00001305 0.44546 6.94981
183 2XRH NIO 0.04861 0.41349 7
184 3WCS MAN NAG GAL 0.01037 0.42264 7.08661
185 3WCS MAN NAG 0.04737 0.40095 7.08661
186 2Z9V PXM 0.01092 0.43058 7.11611
187 1RZM PEP 0.01146 0.42961 7.11611
188 1SS4 GSH 0.0148 0.47205 7.18954
189 1SS4 CIT 0.01804 0.44883 7.18954
190 4G28 0W8 0.02085 0.41335 7.38255
191 1V5F TPP 0.001191 0.41585 7.49064
192 1V5F FAD 0.001191 0.41585 7.49064
193 3RF4 FUN 0.01719 0.42148 7.75862
194 2ZJ5 ADP 0.02607 0.41749 7.86517
195 1ML4 PAL 0.003162 0.409 7.86517
196 1NML CIT 0.0413 0.40375 7.86517
197 3RKR NAP 0.005469 0.43472 8.01527
198 2QIA U20 0.00254 0.41003 8.01527
199 3GD8 BOG 0.007679 0.46115 8.07175
200 3EM1 TYD 0.001027 0.42578 8.21918
201 2FGQ MLT 0.001296 0.48627 8.2397
202 1I1Q TRP 0.01515 0.41959 8.2397
203 2GJ3 FAD 0.0002653 0.42522 8.33333
204 2V5K OXM 0.01519 0.41343 8.36237
205 1Y75 NAG 0.01456 0.42036 8.47458
206 5E65 5N6 GAL 0.002725 0.43231 8.61423
207 1KC7 PPR 0.02819 0.4257 8.61423
208 1NYT NAP 0.004168 0.40059 8.61423
209 3K56 IS3 0.006738 0.42242 9.02256
210 2QLX RM4 0.03145 0.42325 9.25926
211 1NOX FMN 0.005314 0.41202 9.26829
212 1YFZ IMP 0.04198 0.40753 9.26829
213 1LYX PGA 0.01748 0.40532 9.27419
214 1NXJ GLV 0.01422 0.42083 9.28962
215 1NXJ TLA 0.01136 0.40774 9.28962
216 3MCT 3MC 0.01872 0.41975 9.3633
217 1GU3 BGC BGC BGC BGC BGC 0.04745 0.40092 9.39597
218 2YD6 FLC 0.02523 0.4697 9.43396
219 3K3G MMU 0.04469 0.40414 9.73783
220 2AZ3 CDP 0.03223 0.40879 9.7561
221 4NTX AMR 0.01128 0.43236 10
222 3NCQ ATP 0.002957 0.41804 10.084
223 2BO4 FLC 0.02445 0.42886 10.1124
224 3IWD M2T 0.0438 0.40247 10.2941
225 4A8H PUW 0.0004849 0.4173 10.4869
226 3QDY A2G GAL 0.0109 0.45314 10.4895
227 3QDW A2G 0.0319 0.43454 10.4895
228 3QDT A2G GAL 0.02832 0.43119 10.4895
229 3QDW NDG 0.03272 0.42237 10.4895
230 1JAC AMG 0.01612 0.45836 10.5263
231 3EJ0 11X 0.0005232 0.49464 10.7143
232 4G4S LDZ 0.009441 0.4092 10.8108
233 1KGQ SCO 0.0002228 0.46594 10.9489
234 1KGQ NPI 0.0006607 0.44602 10.9489
235 4Q3F TLA 0.005203 0.4567 11.1111
236 2DVZ GLU 0.01954 0.41062 11.236
237 1UGY GLA BGC 0.01993 0.42722 11.2782
238 1WS4 AMG 0.02338 0.42165 11.2782
239 1UGW GAL 0.02803 0.41297 11.2782
240 1WS4 GYP 0.0315 0.41196 11.2782
241 1UGY GLA GLC 0.04685 0.4076 11.2782
242 1WHT BZS 0.0305 0.41888 11.3281
243 4AAW R84 0.000013 0.48445 11.6105
244 1O68 KIV 0.03526 0.40697 11.6105
245 2RHQ GAX 0.005248 0.40587 11.985
246 4NPT 017 0.03158 0.40147 12.1212
247 3I6B KDO 0.03293 0.40835 12.2222
248 1A8S PPI 0.001896 0.45218 12.3596
249 1GPJ CIT 0.03328 0.41699 12.3596
250 1Q3P GLU ALA GLN THR ARG LEU 0.03586 0.4027 12.844
251 3EYK EYK 0.00786 0.44791 13.3721
252 1D3V ABH 0.001995 0.41123 13.4831
253 1XX4 BAM 0.003585 0.45565 13.7931
254 1TH8 ADP 0.02486 0.40604 13.7931
255 4JCA CIT 0.02623 0.44624 16.1677
256 3NGU ADP 0.003525 0.434 16.5563
257 4MZU COA 0.0006398 0.45853 17.9775
258 1SC3 MLI 0.003956 0.4763 18.1818
259 1J2Z SOG 0.02298 0.41269 18.3521
260 2VSL MAA LYS PRO PHE 0.03257 0.40475 18.75
261 2YLD CMO 0.01971 0.42826 18.8976
262 1FWE HAE 0.005071 0.44088 21
263 3FS8 ACO 0.000001095 0.5586 21.2454
264 3FS8 TDR 0.000001993 0.54559 21.2454
265 1OGD RIP 0.007242 0.43881 22.9008
266 3CH5 GDP 0.001489 0.45417 23.0769
267 1KRR ACO 0.001496 0.41909 28.5714
268 4EA7 COA 0.000000000002567 0.50008 30.4545
269 4EA7 JB2 0.0000004984 0.47695 30.4545
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