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Receptor
PDB id Resolution Class Description Source Keywords
1Y0G 2.2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI YCEI PROTEIN, STRU GENOMICS ESCHERICHIA COLI LIPID BINDING PROTEIN LIPOCALIN COFACTOR COENZYME DEHYDRHYDROLASE PREDICTED STRUCTURAL GENOMICS PROTEIN STRUCTURINITIATIVE PSI NYSGXRC NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI YCEI PERI PROTEIN TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8PP A:320;
B:321;
C:322;
D:323;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
639.047 C46 H70 O CC(=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Y0G 2.2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI YCEI PROTEIN, STRU GENOMICS ESCHERICHIA COLI LIPID BINDING PROTEIN LIPOCALIN COFACTOR COENZYME DEHYDRHYDROLASE PREDICTED STRUCTURAL GENOMICS PROTEIN STRUCTURINITIATIVE PSI NYSGXRC NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI YCEI PERI PROTEIN TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1Y0G - 8PP C46 H70 O CC(=CCCC(=....
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 1Y0G - 8PP C46 H70 O CC(=CCCC(=....
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 1Y0G - 8PP C46 H70 O CC(=CCCC(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8PP; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 8PP 1 1
2 MQ7 0.447761 0.742857
3 MQ9 0.447761 0.742857
4 UQ6 0.409091 0.769231
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Y0G; Ligand: 8PP; Similar sites found with APoc: 232
This union binding pocket(no: 1) in the query (biounit: 1y0g.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 3GM5 CIT None
2 5H9P TD2 None
3 4L4J NAG NAG BMA MAN NAG None
4 4WG0 CHD None
5 5ACM MBT None
6 3ZO7 K6H None
7 1SGJ OAA 1.05634
8 5HZX 2GE 1.13636
9 5VGS 9A7 1.27389
10 5MBC FMN 1.57068
11 2WA4 069 1.57068
12 3ZJQ NCA 1.57068
13 2I6A 5I5 1.57068
14 1H8S AIC 1.5873
15 3M3E GAL A2G NPO 1.86335
16 2HFN FMN 1.96078
17 5GP0 GPP 2.01342
18 3AVR OGA 2.09424
19 4P87 4NP 2.09424
20 5SVV FMN 2.18978
21 6GG9 FMN 2.46914
22 3VV1 GAL FUC 2.5
23 5HA0 LTD 2.5641
24 2Z93 END 2.6178
25 4LED XXR 2.6178
26 4LIT AKG 2.6178
27 2OVW CBI 2.6178
28 1MJJ HAL 2.6178
29 4N14 WR7 2.6178
30 5NBP BGC BGC BGC 2.6178
31 2HJR CIT 2.6178
32 3B00 16A 2.6178
33 5HCA BGC 2.6178
34 3ACL 3F1 2.6178
35 4QCK ASD 2.6178
36 4JGP PYR 2.6178
37 1NWW HPN 2.68456
38 4ZU4 4TG 2.7027
39 2YG2 FLC 2.90698
40 2YG2 S1P 2.90698
41 2GJ5 VD3 3.08642
42 2CDO GAL AAL GAL AAL GAL AAL 3.125
43 5MOB A8S 3.14136
44 4OCT AKG 3.14136
45 1OIJ AKG 3.14136
46 3ITA AIC 3.14136
47 4NS3 NAD 3.14136
48 2OVD DAO 3.2967
49 5I8T LAC 3.35196
50 4OJ8 AKG 3.66492
51 6D61 4AA 3.66492
52 3B99 U51 3.66492
53 1C5C TK4 3.66492
54 4RF7 ARG 3.66492
55 5XQW 8EU 3.66492
56 2DDQ HRB 3.66492
57 5XPI 8C3 3.82166
58 3A76 SPD 3.97727
59 5AIG VPR 4
60 5N2D 8J8 4.16667
61 5EO8 TFU 4.18848
62 1VAY AZA 4.18848
63 3WDX BGC BGC GLC 4.18848
64 2AXR ABL 4.18848
65 1H4H XYP XYS XYP 4.18848
66 1QVJ RP5 4.18848
67 1U0A BGC BGC BGC BGC 4.18848
68 1YKD CMP 4.18848
69 3THR C2F 4.18848
70 5G48 1FL 4.18848
71 1XE7 GUN 4.18848
72 6E08 NAP 4.18848
73 6FXR AKG 4.18848
74 4S00 AKR 4.18848
75 5H5A 6OU 4.18848
76 1NE6 SP1 4.18848
77 2GC0 PAN 4.25532
78 43CA NPO 4.2735
79 5VX9 FUC GAL NAG GAL BGC 4.34783
80 1MH5 HAL 4.34783
81 5BU3 4W9 4.34783
82 1KQW RTL 4.47761
83 2P7Q GG6 4.51128
84 5FUI APY 4.54545
85 6EHH 2GE 4.54545
86 1OGX EQU 4.58015
87 5LN8 GAL 4.58015
88 1FHW I5P 4.65116
89 5X7Q GLC GLC GLC GLC GLC 4.71204
90 5X7Q GLC GLC GLC GLC 4.71204
91 5FQK 6NT 4.71204
92 2WEI VGG 4.71204
93 3SCH TB6 4.71204
94 5C3R AKG 4.71204
95 5C3R HMU 4.71204
96 3O2K DST 4.71204
97 1Y7P RIP 4.71204
98 4RW3 IPD 4.71204
99 1V08 NTZ 4.71204
100 5B09 4MX 4.80769
101 4K55 H6P 4.83871
102 3QP8 HL0 4.8913
103 3TL1 JRO 5.03145
104 4JH6 FCN 5.07246
105 1KTG AMP 5.07246
106 4WN5 MVC 5.21739
107 1MEX RAC 5.2356
108 4AMW 5DI 5.2356
109 5L2R MLA 5.2356
110 5WS9 OXL 5.2356
111 3TTM PUT 5.2356
112 1URX AAL GAL AAL GAL AAL GAL AAL 5.2356
113 3GNP SOG 5.2356
114 5LY2 OGA 5.2356
115 1OJK GLC BGC 5.2356
116 1OJJ GLC GAL 5.2356
117 3SLS 77D 5.2356
118 4JHG ZEA 5.35714
119 1ERB ETR 5.46448
120 3N0Y APC 5.58659
121 5OO5 UUA 5.64516
122 4R38 RBF 5.71429
123 1IIU RTL 5.74713
124 4WOE ADP 5.75916
125 5J3Z 6FQ 5.75916
126 4U0W 16G 5.75916
127 1SDW IYT 5.75916
128 5HV0 AKG 5.75916
129 1Z03 OCH 5.75916
130 2BKL ZAH 5.75916
131 4IAW LIZ 5.85106
132 5BVB DOG 6.06061
133 5NIU 8YZ 6.25
134 5NBW 8SK 6.28272
135 4XCB AKG 6.28272
136 2VQ5 HBA 6.28272
137 1ODM ASV 6.28272
138 6GR0 F8W 6.32184
139 4RYV ZEA 6.45161
140 1NKI PPF 6.66667
141 6GNO XDI 6.66667
142 3SE5 ANP 6.70732
143 3I4X DST 6.80628
144 4GN8 ASO 6.80628
145 3JQ3 ADP 6.80628
146 1ZM1 BGC BGC BGC 6.80628
147 4J25 OGA 6.80628
148 1GT4 UNA 6.91824
149 3BRN SRO 7.00637
150 4M1U A2G MBG 7.14286
151 2ARC ARA 7.31707
152 5XEG AKG 7.32984
153 2BMR 3NT 7.32984
154 2CM4 RCL 7.33333
155 5LJB RTL 7.40741
156 2HKA C3S 7.69231
157 2ET1 GLV 7.8534
158 5W7B MYR 7.8534
159 3T7V MD0 7.8534
160 3ZGJ RMN 7.8534
161 2GVJ DGB 7.8534
162 4M8D 23J 7.8534
163 2Z77 HE7 7.91367
164 2BYC FMN 8.0292
165 4ZSI 4R1 8.18713
166 3RGA LSB 8.37696
167 5YJS SAL 8.37696
168 3NNF AKG 8.37696
169 2VL1 GLY GLY 8.37696
170 5JSP DQY 8.37696
171 5YW5 ADE 8.37989
172 2HZQ STR 8.62069
173 2PFC PLM 8.74317
174 3IWD M2T 8.82353
175 5KWW 6YA 8.90052
176 6CZI 38E 8.92857
177 3KFF ZBT 9.25926
178 3KFF XBT 9.25926
179 1OW4 2AN 9.30233
180 1NYW DAU 9.42408
181 6C0B PAM 9.42408
182 2R5V HHH 9.42408
183 4W6Z ETF 9.94764
184 3W9R A8S 10.0529
185 5FKP 6UL 10.101
186 2BOS GLA GAL GLC 10.2941
187 2BOS GLA GAL 10.2941
188 4H69 10Y 10.4712
189 5H2D ERG 10.4712
190 2GWH PCI 10.4712
191 1X0P FAD 10.4895
192 1I06 TZL 10.5556
193 1N5S ADL 10.7143
194 1QY1 PRZ 10.9195
195 5EPQ OLA 10.9756
196 4H6B 10Y 11.5183
197 4H6B 10X 11.5183
198 4AZI OAN 11.5183
199 4QDC ASD 11.5183
200 5V3D FCN 11.7241
201 4RJD TFP 12.1212
202 5Y02 MXN 12.1495
203 2DIO EOD 12.234
204 4WUJ FMN 12.2449
205 4IP7 FLC 12.5654
206 2JC9 ADN 13.089
207 1XL8 152 13.089
208 5FPX GLY SER SER HIS HIS HIS HIS HIS 13.2743
209 3KP6 SAL 13.9073
210 5KWY C3S 14.1361
211 5C9J STE 14.1414
212 1DZK PRZ 14.6497
213 5ISY NAD 14.6597
214 5LGD PLM 14.6597
215 4FFG 0U8 15.1832
216 4FFG LBS 15.1832
217 5I0U DCY 15.1832
218 5EZU MYR 15.7303
219 5H9O GLC 15.9091
220 4KCT PYR 16.2304
221 5K21 6QF 16.3121
222 5J75 6GQ 16.7539
223 5LXB 7A9 16.7539
224 4CCN OGA 17.1429
225 1OF4 BMA BMA BMA BMA BMA 18.9944
226 4A34 FUL 19.7279
227 5TBM 79A 20.5128
228 5KEW 6SB 23.4043
229 4YGF AZM 23.5602
230 5IXH OTP 27.9503
231 2Y69 CHD 29.7297
232 5ZCO CHD 30.137
Pocket No.: 2; Query (leader) PDB : 1Y0G; Ligand: 8PP; Similar sites found with APoc: 79
This union binding pocket(no: 2) in the query (biounit: 1y0g.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 2Y7G AAE None
2 3UCJ AZM None
3 4OFG PCG 1.38889
4 3ZDS HMQ 2.09424
5 4GQP B40 2.09424
6 4EE7 PIS 2.09424
7 2A8Y MTA 2.09424
8 5CJF 520 2.09424
9 4N7C AEF 2.27273
10 5YF9 NIO 2.6178
11 3B1Q NOS 2.6178
12 2GQS ADP 2.6178
13 4D06 NAR 3.14136
14 4NPL AKG 3.14136
15 5A86 D7E 3.14136
16 1KGI T4A 3.14961
17 5TZO 7V7 3.19149
18 3DGB MUC 3.66492
19 2OG7 SIN 3.66492
20 2PR5 FMN 3.78788
21 1Y9Q MED 4.18848
22 2ZI8 SDT 4.18848
23 1TO9 HMH 4.18848
24 5D6T NGA 4.18848
25 5O5Y GLC 4.31034
26 5VKI THR NGA GAL NAG 5
27 2QX0 PH2 5.03145
28 5O9W AKG 5.2356
29 6EXF LYS 5.2356
30 1DKF OLA 5.2356
31 4REI 3MV 5.29801
32 6BU0 IHP 5.34351
33 4X7Q 3YR 5.44872
34 1N9L FMN 5.50459
35 1EU1 GLC 5.75916
36 1X8D RNS 5.76923
37 3DZ6 PUT 5.97015
38 1I7M PUT 5.97015
39 6G5Q EMZ 6.28272
40 3NNT DQA 6.28272
41 2IF8 ADP 6.28272
42 2YOO K2B 6.28272
43 5W10 CMP 6.28272
44 3QRC SCR 6.36943
45 5Y80 IRE 6.75676
46 3U6W KIV 6.80628
47 1SZ0 M6P 6.80628
48 4B1M FRU FRU 7.02703
49 3MKK GLC BGC 7.32984
50 2YKL NLD 7.32984
51 2C1P FNZ 7.37327
52 5U9J GER 7.69231
53 4CNO 9PY 7.8534
54 3P7N FMN 7.8534
55 5FS0 5JC 7.8534
56 3NX2 FER 8.33333
57 5CAD PCA 8.37696
58 5L9B AKG 8.37696
59 2BO4 FLC 8.37696
60 5MN0 A8S 8.37696
61 3KV4 OGA 8.37696
62 5L9V OGA 8.37696
63 4WVO 3UZ 8.37696
64 1J3R 6PG 8.42105
65 3A6T 8OG 8.52713
66 2QJY UQ2 8.55615
67 5XNA SHV 8.69565
68 1F5F DHT 9.42408
69 4XYM A12 9.42408
70 6F5U CQN 9.52381
71 3N9O OGA 9.94764
72 3FW9 SLX 9.94764
73 3KDJ A8S 10.4712
74 4CCK OGA 10.4712
75 5TVM PUT 10.4712
76 4QDF 30Q 11.5183
77 2JIG PD2 11.5183
78 5EPA AKG 12.5654
79 5C9J DAO 14.1414
Pocket No.: 3; Query (leader) PDB : 1Y0G; Ligand: 8PP; Similar sites found with APoc: 25
This union binding pocket(no: 3) in the query (biounit: 1y0g.bio2) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 1SQI 869 1.57068
2 1UNB AKG 1.57068
3 3B6R ADP 2.6178
4 1U6R ADP 2.6178
5 3EQO LGC 2.6178
6 1OH2 SUC 3.66492
7 1A0T SUC 3.66492
8 4OCX MT1 3.7037
9 4KYS VIB 4.71204
10 5H2U 1N1 4.71204
11 4MZU TYD 5.2356
12 2X00 GYN 5.75916
13 3URB DPF 6.28272
14 3GL0 HXX 6.80628
15 5OES ADP 6.80628
16 3PGU OLA 7.32984
17 5W1E PHB 7.8534
18 4DOL PLM 7.8534
19 4M26 AKG 8.37696
20 2HJ9 AI2 8.37696
21 4D1J DGJ 8.90052
22 4XH0 ADP 9.94764
23 3A23 GAL 10.9948
24 4YMJ 4EJ 13.6126
25 5Z84 CHD 30.137
Pocket No.: 4; Query (leader) PDB : 1Y0G; Ligand: 8PP; Similar sites found with APoc: 35
This union binding pocket(no: 4) in the query (biounit: 1y0g.bio2) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 4QM9 CYS None
2 4RFR RHN None
3 4ORR PE3 1.57895
4 1VRP ADP 2.6178
5 5KAU RHQ 3.0303
6 2G30 ALA ALA PHE 3.14136
7 5F2T PLM 3.14136
8 5KBE IPH 3.66492
9 3NZ1 3NY 3.66492
10 1NX4 AKG 3.66492
11 1LFO OLA 3.90625
12 1PS6 4TP 4.18848
13 3UDZ ADP 4.18848
14 5A65 TPP 4.71204
15 1O6U PLM 5.2356
16 3E2M E2M 5.40541
17 1UAS GLA 5.75916
18 4KBA 1QM 6.28272
19 5W4W 9WG 6.28272
20 1KW6 BPY 6.28272
21 1QKQ MAN 6.33803
22 3CL7 HYN 6.80628
23 2F67 12B 6.8323
24 2QZT PLM 7.20721
25 1FUI FOC 7.32984
26 3WKX FUB 8.37696
27 4RSE A6V 8.37696
28 1Y2F WAI 8.63309
29 2AGC DAO 8.64198
30 1OPB RET 9.70149
31 3LVW GSH 9.94764
32 4B1L FRU 12.7273
33 1BHX ASP PHE GLU GLU ILE 14.966
34 4DFB KAN 25.1309
35 5W97 CHD 30.137
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