Receptor
PDB id Resolution Class Description Source Keywords
1SBZ 2 Å EC: 4.1.1.- CRYSTAL STRUCTURE OF DODECAMERIC FMN-DEPENDENT UBIX-LIKE DEC FROM ESCHERICHIA COLI O157:H7 ESCHERICHIA COLI FMN BINDING PAD1 UBIX MONTREAL-KINGSTON BACTERIAL STRUCTUGENOMICS INITIATIVE BSGI STRUCTURAL GENOMICS LYASE
Ref.: CRYSTAL STRUCTURE OF A DODECAMERIC FMN-DEPENDENT UB DECARBOXYLASE (PAD1) FROM ESCHERICHIA COLI O157: H7 PROTEIN SCI. V. 13 3006 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:1401;
B:1402;
C:1403;
D:1404;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SBZ 2 Å EC: 4.1.1.- CRYSTAL STRUCTURE OF DODECAMERIC FMN-DEPENDENT UBIX-LIKE DEC FROM ESCHERICHIA COLI O157:H7 ESCHERICHIA COLI FMN BINDING PAD1 UBIX MONTREAL-KINGSTON BACTERIAL STRUCTUGENOMICS INITIATIVE BSGI STRUCTURAL GENOMICS LYASE
Ref.: CRYSTAL STRUCTURE OF A DODECAMERIC FMN-DEPENDENT UB DECARBOXYLASE (PAD1) FROM ESCHERICHIA COLI O157: H7 PROTEIN SCI. V. 13 3006 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1SBZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
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 1SBZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1SBZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAS 0.543307 0.876543
5 FAD 0.543307 0.876543
6 FAE 0.539062 0.865854
7 DAL FAD PER 0.5 0.833333
8 LFN 0.475 0.643836
9 C3F 0.473684 0.74359
10 CF4 0.463918 0.734177
11 FAY 0.446043 0.864198
12 FNR 0.444444 0.909091
13 RFL 0.442857 0.845238
14 4LS 0.411215 0.875
15 1VY 0.406593 0.769231
16 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SBZ; Ligand: FMN; Similar sites found: 275
This union binding pocket(no: 1) in the query (biounit: 1sbz.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.000494 0.54083 None
2 1SS4 CIT 0.001025 0.515 None
3 3S9K CIT 0.003264 0.50371 None
4 4Q3F TLA 0.001802 0.46434 None
5 2BZ1 TAU 0.01182 0.4616 None
6 1Y7P RIP 0.004189 0.4608 None
7 3KPE TM3 0.002171 0.46054 None
8 1SS4 GSH 0.01751 0.45154 None
9 1G63 FMN 0.0002076 0.44839 None
10 3R51 MMA 0.01213 0.44438 None
11 4F4S EFO 0.003724 0.43782 None
12 1UO4 PIH 0.02274 0.43707 None
13 3I6B KDO 0.007089 0.4255 None
14 1NME 159 0.002666 0.42441 None
15 1JHG TRP 0.01057 0.42281 None
16 1OGD RIP 0.008157 0.42281 None
17 2O66 FLC 0.01227 0.41987 None
18 2QV7 ADP 0.003945 0.41367 None
19 1NW5 SAM 0.002409 0.41015 None
20 2BOI MFU 0.01641 0.40939 None
21 1Y2W NAG 0.02791 0.40823 None
22 4KGM ATP 0.01002 0.40574 None
23 3A0E M3M 0.03166 0.40562 None
24 3EW2 BTN 0.016 0.40549 None
25 4NPT 017 0.01369 0.4042 None
26 1DUC DUD 0.003844 0.4013 None
27 2EB5 OXL 0.004589 0.44526 1.01523
28 3LM9 ADP 0.007304 0.41128 1.01523
29 3P7I P7I 0.02631 0.40029 1.01523
30 3QDV NDG 0.001558 0.48249 1.3986
31 3QDW A2G 0.006101 0.4601 1.3986
32 3QDV A2G 0.006692 0.45799 1.3986
33 3QDW NDG 0.003563 0.45707 1.3986
34 3QDY A2G GAL 0.006987 0.44955 1.3986
35 3QDT A2G GAL 0.00893 0.44416 1.3986
36 3QDY CBS 0.04459 0.40329 1.3986
37 2VMD MBG 0.0003919 0.52274 1.52284
38 1A5Z OXM 0.001424 0.48447 1.52284
39 1HQL GLA MBG 0.00973 0.4358 1.52284
40 2V5K OXM 0.002779 0.43053 1.52284
41 3UST FAD 0.004066 0.41317 1.52284
42 1QRD DQN 0.04313 0.40927 1.52284
43 1TV5 A26 0.002959 0.40023 1.52284
44 3F81 STT 0.009657 0.44959 1.63934
45 1MXI SAH 0.002915 0.41086 1.875
46 4DN8 BMA 0.000533 0.48918 1.92308
47 2X2T GAL NGA 0.01018 0.44838 1.96078
48 1ULE GLA GAL NAG 0.01321 0.43552 2
49 2WCU FUC 0.01101 0.42671 2.01342
50 1MVN FMN 0.000005156 0.49795 2.03046
51 3UCJ AZM 0.003853 0.43195 2.03046
52 1U3I GSH 0.007566 0.42944 2.03046
53 1MVN PCO 0.00001325 0.42293 2.03046
54 2NVK NAP 0.009264 0.42037 2.03046
55 4JWX 1N4 0.01121 0.41672 2.03046
56 1IM8 SAI 0.001656 0.4122 2.03046
57 2F5X ASP 0.02403 0.40616 2.03046
58 3MD0 GDP 0.01563 0.40592 2.03046
59 2V9M CIT 0.00004437 0.50728 2.53807
60 2YD6 FLC 0.003996 0.48828 2.53807
61 3GD8 BOG 0.001817 0.47912 2.53807
62 3ZPG 5GP 0.006737 0.45783 2.53807
63 3FPZ AHZ 0.0005017 0.43422 2.53807
64 1G8S MET 0.009362 0.43068 2.53807
65 4N69 SER 0.01177 0.426 2.53807
66 2WIC GNP 0.0004539 0.42185 2.53807
67 4OYA 1VE 0.003457 0.41557 2.53807
68 3CL5 SIO 0.03046 0.41149 2.53807
69 5AZ8 MAL 0.01739 0.41056 2.53807
70 1J2Z SOG 0.005411 0.40654 2.53807
71 3VPQ GSH 0.02871 0.40295 2.53807
72 1ZGA SAH 0.01087 0.40048 2.53807
73 4LO6 SIA GAL 0.02126 0.42202 2.63158
74 4C81 CDP 0.00352 0.40263 2.71739
75 1WGC SIA GAL BGC 0.02325 0.43653 2.92398
76 1JAC AMG 0.01228 0.45184 3.00752
77 1JOT GAL A2G 0.003902 0.42683 3.00752
78 3VPD BUA 0.0004982 0.54405 3.04569
79 4M5P MLA 0.002928 0.48605 3.04569
80 1XX4 BAM 0.0005358 0.4782 3.04569
81 4PB2 5UD 0.00004838 0.47514 3.04569
82 3VPD CIT 0.006267 0.46792 3.04569
83 1T10 F6P 0.00148 0.46165 3.04569
84 2PNZ 5GP 0.0009412 0.45805 3.04569
85 1WTC ACP 0.00719 0.44221 3.04569
86 4USS GSH 0.003289 0.44019 3.04569
87 2P69 PLP 0.005113 0.43719 3.04569
88 9LDB OXM 0.02391 0.43586 3.04569
89 1AUA BOG 0.00413 0.43584 3.04569
90 4U36 TNR 0.0001996 0.43144 3.04569
91 4O8A 2OP 0.02376 0.42891 3.04569
92 4NAO AKG 0.0152 0.42633 3.04569
93 3U1T MLI 0.01631 0.42482 3.04569
94 1NML CIT 0.008055 0.42305 3.04569
95 1SQ5 ADP 0.003827 0.42259 3.04569
96 1QB7 ADE 0.006069 0.41888 3.04569
97 4Q3S X7A 0.0004026 0.41813 3.04569
98 2Y7P SAL 0.01091 0.41723 3.04569
99 1V6A TRE 0.01613 0.41444 3.04569
100 4BT5 23B 0.01099 0.41248 3.04569
101 4DYO SD4 0.0117 0.41133 3.04569
102 1W3R PYR 0.04096 0.41043 3.04569
103 1PEA ACM 0.04223 0.40974 3.04569
104 1FNZ A2G 0.001682 0.40846 3.04569
105 2XBN PMP 0.001107 0.4044 3.04569
106 1SQ5 PAU 0.02362 0.40237 3.04569
107 2PNZ UDP 0.001346 0.40175 3.04569
108 3I8T LBT 0.002089 0.44886 3.04878
109 3EJ0 11X 0.01721 0.41077 3.06122
110 3GM5 CIT 0.02758 0.40848 3.14465
111 1NXJ GLV 0.001283 0.45232 3.27869
112 1NXJ TLA 0.0009296 0.43529 3.27869
113 2VKL MLT 0.02093 0.43907 3.33333
114 3WIS FMN 0.000002176 0.55481 3.5533
115 1A8S PPI 0.00006556 0.49688 3.5533
116 3O03 GCO 0.005295 0.46334 3.5533
117 2IZ1 ATR 0.001916 0.46308 3.5533
118 4W6Z ETF 0.006207 0.45971 3.5533
119 3I7S PYR 0.006141 0.45239 3.5533
120 1WHT BZS 0.006868 0.43702 3.5533
121 3L6R MLI 0.01258 0.43034 3.5533
122 1OIK AKG 0.01218 0.42529 3.5533
123 1ZUW DGL 0.006168 0.42322 3.5533
124 4HA6 PXM 0.0139 0.41739 3.5533
125 5D63 FUC GLA GLA 0.0213 0.41381 3.5533
126 3PMA SCR 0.0135 0.41314 3.5533
127 2J5S KTA 0.003778 0.40679 3.5533
128 4E28 9MZ 0.03012 0.40666 3.5533
129 3RK0 AMP 0.01117 0.40384 3.5533
130 2Q1A 2KT 0.002443 0.40302 3.5533
131 3O2K QRP 0.01665 0.40066 3.5533
132 3WUD GLC GAL 0.03771 0.41227 3.67647
133 1YOA FMN 0.0002245 0.56047 3.77358
134 1S8F GDP 0.005751 0.41133 3.9548
135 1JSH SIA GAL 0.0007264 0.42069 3.97727
136 4N7C AEF 0.03172 0.41062 3.97727
137 3VOZ 04A 0.0006377 0.43914 4.06091
138 2NCD ADP 0.005955 0.43417 4.06091
139 1B74 DGN 0.0156 0.43187 4.06091
140 1RZM E4P 0.01669 0.42434 4.06091
141 3CQ5 PMP 0.00908 0.41604 4.06091
142 1JN2 SFP 0.005341 0.41259 4.06091
143 3ZGE ASP 0.03908 0.41147 4.06091
144 2EJU SAH 0.003932 0.40616 4.06091
145 4WVH ASP HIS ASP ALA HIS ALA 0.01547 0.40612 4.06091
146 1QO0 BMD 0.03395 0.40418 4.08163
147 1Y9Q MED 0.04027 0.40063 4.16667
148 1JGS SAL 0.0112 0.46295 4.34783
149 1SC3 MLI 0.01137 0.43885 4.54545
150 2JFV FLC 0.005516 0.4415 4.56853
151 2ZO9 MLI 0.001538 0.44102 4.56853
152 1P9B HDA 0.00452 0.43962 4.56853
153 4M7F BM3 0.007341 0.42483 4.56853
154 4LHM AZZ 0.0191 0.41108 4.56853
155 4CIB 7UZ 0.02206 0.40821 4.56853
156 2ZE3 AKG 0.02533 0.40545 4.56853
157 1T3D CYS 0.04378 0.40369 4.56853
158 3W54 RNB 0.01055 0.40099 4.56853
159 2BES RES 0.007661 0.41045 4.65116
160 1UFY MLI 0.005967 0.4399 4.91803
161 3IHB TRS 0.0008288 0.56198 5.07614
162 2X0K PPV 0.0008575 0.46908 5.07614
163 1LTH FBP 0.00161 0.46663 5.07614
164 3VCA PRO 0.001649 0.45639 5.07614
165 3OAZ 2M5 0.0207 0.4433 5.07614
166 3ICV NAG 0.0295 0.4409 5.07614
167 3K3G MMU 0.003922 0.43957 5.07614
168 2XDQ MGX 0.01558 0.43862 5.07614
169 2NZ2 ASP 0.004241 0.43533 5.07614
170 1V5F FAD 0.00457 0.42474 5.07614
171 1V5F TPP 0.00457 0.42474 5.07614
172 3IHB GLU 0.01948 0.42104 5.07614
173 1RYD GLC 0.01631 0.4193 5.07614
174 1NF8 BOG 0.02561 0.4152 5.07614
175 1Z6K OAA 0.008919 0.40983 5.07614
176 3W8S GSH 0.03063 0.40165 5.07614
177 1WKL ADP 0.005426 0.4011 5.10949
178 3PNA CMP 0.01728 0.40405 5.19481
179 1C3M MAN MAN 0.001324 0.4363 5.44218
180 4B9E FAH 0.004588 0.45173 5.58376
181 3VHZ L2P GLC MAN SGA 0.000213 0.43942 5.58376
182 3SQG COM 0.02307 0.43671 5.58376
183 2BO4 FLC 0.01969 0.42082 5.58376
184 1KC7 PPR 0.02229 0.41817 5.58376
185 2JBH 5GP 0.009686 0.41483 5.58376
186 1GJW GLC 0.02715 0.41396 5.58376
187 3VHZ SOG 0.001156 0.41327 5.58376
188 2WMO GTP 0.007193 0.40752 5.58376
189 3A2Q ACA ACA 0.005152 0.40549 5.58376
190 3GJB AKG 0.0206 0.40077 5.58376
191 3EYK EYK 0.01348 0.42321 5.81395
192 4LFL TG6 0.005905 0.41937 5.81395
193 3NOJ PYR 0.001076 0.46467 5.88235
194 1PTR PRB 0.01959 0.42092 6
195 3TKA CTN 0.006004 0.47501 6.09137
196 1HFA PIO 0.003335 0.47377 6.09137
197 3GTD MLI 0.001859 0.45715 6.09137
198 3RKR NAP 0.002017 0.43379 6.09137
199 3B9Z CO2 0.01235 0.42501 6.09137
200 3UDG TMP 0.03097 0.42278 6.09137
201 1VBH PEP 0.01172 0.42077 6.09137
202 1B9I PXG 0.0005779 0.42028 6.09137
203 5DRN 5CT 0.04712 0.41614 6.09137
204 2OWZ CIT 0.001364 0.41151 6.09137
205 4IHQ ADP 0.0117 0.41131 6.09137
206 2FEQ 34P 0.005823 0.40352 6.09137
207 2AZ3 CDP 0.0245 0.40167 6.09756
208 4MOB ADP 0.00008649 0.47401 6.59898
209 4M51 BEZ 0.003234 0.46647 6.59898
210 1LDM OXM 0.006037 0.41898 6.59898
211 2YIV YIV 0.03139 0.41637 6.59898
212 2R42 FPS 0.001618 0.41624 6.59898
213 3TA2 ATP 0.0001205 0.40797 6.59898
214 2VAR AMP 0.01591 0.40148 6.59898
215 3GF2 SAL 0.002281 0.47414 6.84932
216 2PMP C5P 0.004178 0.41677 6.875
217 1Y1A GSH 0.02789 0.44468 7.10383
218 1RYI GOA 0.003667 0.49689 7.1066
219 1AX2 NDG GAL 0.01141 0.41638 7.1066
220 1KO0 LYS 0.03572 0.41348 7.1066
221 4JCA CIT 0.005075 0.47295 7.18563
222 2HVK TBA 0.000652 0.48507 7.25806
223 3WUC GLC GAL 0.03197 0.41045 7.29927
224 3UBW 6SP 0.006315 0.49511 7.61421
225 1H16 DTL 0.003969 0.46993 7.61421
226 1FX8 BOG 0.0003564 0.4485 7.61421
227 3IB9 BTN 0.007293 0.44518 7.61421
228 3FKQ ATP 0.001678 0.42357 7.61421
229 1H16 PYR 0.02933 0.41788 7.61421
230 1I1Q TRP 0.009837 0.41455 7.61421
231 1YFZ IMP 0.01784 0.41243 7.61421
232 1KYQ NAD 0.003051 0.41014 7.61421
233 3CEV ARG 0.01267 0.40984 7.61421
234 1Q3Q ANP 0.001253 0.40912 7.61421
235 2ZJ5 ADP 0.02382 0.40668 7.61421
236 2DDH HXD 0.003085 0.40292 7.61421
237 1NP0 NGT 0.03644 0.40271 7.61421
238 2Z9V PXM 0.008209 0.42269 8.12183
239 1NU4 MLA 0.001232 0.50667 8.24742
240 1Q3P GLU ALA GLN THR ARG LEU 0.01537 0.40624 8.25688
241 2FGQ MLT 0.00009669 0.52397 8.62944
242 3SHR CMP 0.004212 0.42546 8.62944
243 3WCS MAN NAG 0.01387 0.41263 8.62944
244 1UW1 ADP 0.02508 0.40565 8.75
245 3LTW HLZ 0.002584 0.45699 9.13706
246 1B8U NAD 0.003178 0.40247 9.13706
247 1BTN I3P 0.0004517 0.54331 9.43396
248 2ZWS PLM 0.006755 0.4756 9.64467
249 1O9U ADZ 0.006271 0.45947 9.64467
250 4C2G ALA ALA ALA ALA 0.00939 0.41541 9.64467
251 2V5E SCR 0.005206 0.47235 9.90099
252 2FH5 GTP 0.002544 0.40931 10.1523
253 1Y75 NAG 0.01231 0.41037 10.1695
254 3NGU ADP 0.002912 0.42291 10.596
255 1GVF PGH 0.00802 0.42314 10.6599
256 2W8Q SIN 0.0284 0.41299 10.6599
257 3CBG FER 0.006965 0.45707 11.1675
258 3CBG 4FE 0.02042 0.43966 11.1675
259 3CBG SAH 0.002901 0.41475 11.1675
260 3QV9 QV7 0.02046 0.40971 11.1675
261 1YRX FMN 0.009621 0.40257 12.3967
262 4B16 NAG 0.01997 0.44019 12.6904
263 2GN2 C5P 0.005233 0.40524 12.6904
264 2OFE NAG 0.007075 0.43642 13.3803
265 1Z42 HBA 0.02942 0.43921 13.7056
266 4WBD ADP 0.02051 0.41994 13.7056
267 4WBD CIT 0.02821 0.41874 13.7056
268 3M6W SAM 0.003326 0.41649 13.7056
269 3LST SAH 0.01011 0.40172 13.7056
270 4WE5 NAG NAG BMA 0.02273 0.40532 13.8122
271 4RJK PYR 0.01064 0.46425 14.7208
272 1M1B SPV 0.01459 0.41643 15.2284
273 1DL7 NCH 0.04895 0.42574 16.0714
274 1NPL MAN 0.00269 0.45617 22.0183
275 1H8P PC 0.01414 0.44086 22.0183
Pocket No.: 2; Query (leader) PDB : 1SBZ; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1sbz.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1SBZ; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1sbz.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1SBZ; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1sbz.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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