Receptor
PDB id Resolution Class Description Source Keywords
2HZQ 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN APOLIPOPROTEIN D (APOD) IN COMPLEX WITH PROGESTERONE HOMO SAPIENS LIPOCALIN BETA BARREL BILIN-BINDING PROTEIN TRANSPORT PROTEIN
Ref.: STRUCTURAL INSIGHT INTO THE DUAL LIGAND SPECIFICITY AND MODE OF HIGH DENSITY LIPOPROTEIN ASSOCIATION OF APOLIPOPROTEIN D. J.BIOL.CHEM. V. 282 31068 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
STR A:300;
Valid;
none;
Kd ~ 1 uM
314.462 C21 H30 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HZQ 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN APOLIPOPROTEIN D (APOD) IN COMPLEX WITH PROGESTERONE HOMO SAPIENS LIPOCALIN BETA BARREL BILIN-BINDING PROTEIN TRANSPORT PROTEIN
Ref.: STRUCTURAL INSIGHT INTO THE DUAL LIGAND SPECIFICITY AND MODE OF HIGH DENSITY LIPOPROTEIN ASSOCIATION OF APOLIPOPROTEIN D. J.BIOL.CHEM. V. 282 31068 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2HZQ Kd ~ 1 uM STR C21 H30 O2 CC(=O)[C@H....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2HZQ Kd ~ 1 uM STR C21 H30 O2 CC(=O)[C@H....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2HZQ Kd ~ 1 uM STR C21 H30 O2 CC(=O)[C@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STR; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 STR 1 1
2 1CA 0.732394 0.775
3 TES 0.619718 0.833333
4 FFA 0.619718 0.833333
5 3G6 0.618421 0.861111
6 TH2 0.554217 0.775
7 K2B 0.542169 0.852941
8 DL4 0.54023 0.794872
9 ASD 0.520548 1
10 PLO 0.433735 0.857143
11 CI2 0.419753 0.870968
12 C0R 0.411111 0.738095
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HZQ; Ligand: STR; Similar sites found: 210
This union binding pocket(no: 1) in the query (biounit: 2hzq.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BX7 B4F 0.001673 0.47601 None
2 1Y52 BTN 0.004334 0.47078 None
3 3STD MQ0 0.006221 0.44163 None
4 1WBI BTN 0.003817 0.43853 None
5 3WG3 A2G GAL NAG FUC 0.002651 0.43827 None
6 2GJ3 FAD 0.02435 0.43063 None
7 4BJ8 BTN 0.005967 0.42998 None
8 1KGI T4A 0.01085 0.42884 None
9 4CPH LH4 0.006034 0.42831 None
10 4RFR RHN 0.01043 0.42204 None
11 1SWG BTN 0.006942 0.42084 None
12 3ZO7 K6H 0.00709 0.41705 None
13 2UZ2 BTN 0.01469 0.41051 None
14 4QYN RTL 0.0164 0.41722 1.50376
15 1SN0 T44 0.007628 0.41928 1.53846
16 3N0Y APC 0.007637 0.43479 1.72414
17 3Q60 ATP 0.01318 0.41348 1.72414
18 3A76 SPD 0.01004 0.40502 1.72414
19 1SU2 ATP 0.0009139 0.47528 1.88679
20 4EKV BTN 0.004967 0.43069 1.88679
21 1GT4 UNA 0.01694 0.40661 1.88679
22 3RDO BTN 0.002897 0.44507 1.96078
23 2A4W BLM 0.01908 0.41938 2.17391
24 3ZW2 GLA NAG GAL FUC 0.0006581 0.48248 2.29885
25 3RGA LSB 0.001084 0.46852 2.29885
26 3ZW2 NAG GAL FUC 0.004248 0.43595 2.29885
27 3ZW0 FUC 0.003662 0.42599 2.29885
28 3ZW2 GAL FUC 0.009219 0.41598 2.29885
29 4U31 MVP 0.03679 0.40938 2.29885
30 2E27 AB0 0.01035 0.41256 2.52101
31 4WVW SLT 0.002916 0.42554 2.77778
32 1T27 PCW 0.007714 0.45674 2.87356
33 4OPC PGT 0.04417 0.44234 2.87356
34 4OPC FDA 0.04139 0.44144 2.87356
35 2QZ3 XYP XYP XYP 0.005218 0.43942 2.87356
36 4D4U FUC GAL NAG 0.002953 0.43047 2.87356
37 3OV6 MK0 0.01407 0.4291 2.87356
38 4D4U FUC NDG GAL FUC 0.003678 0.42642 2.87356
39 2DIO EOD 0.006581 0.42543 2.87356
40 4D4U FUC GAL 0.005152 0.41862 2.87356
41 4D52 GIV 0.002281 0.41202 2.87356
42 1YKD CMP 0.01705 0.40861 2.87356
43 1QXW M1C 0.01943 0.4079 2.87356
44 4D4U FUC GAL NDG FUC 0.002707 0.4049 2.87356
45 1DRY AAG 0.03701 0.40293 2.87356
46 3EW2 BTN 0.006505 0.41941 2.96296
47 2Z6D FMN 0.005212 0.43829 3.07692
48 5AIG VPR 0.00234 0.4127 3.2
49 3LXK MI1 0.03481 0.40523 3.36391
50 5I0U DCY 0.0005308 0.47687 3.44828
51 1OLM VTQ 0.00462 0.45001 3.44828
52 4P7X AKG 0.00527 0.43477 3.44828
53 1SQI 869 0.005315 0.43228 3.44828
54 4CSD MFU 0.00341 0.4271 3.44828
55 2YAK OSV 0.02445 0.41619 3.44828
56 3AMN CBK 0.01963 0.41494 3.44828
57 4XV1 904 0.03072 0.41404 3.44828
58 2C49 ADN 0.01675 0.40923 3.44828
59 1GQG DCD 0.02667 0.40555 3.44828
60 5FBN 5WF 0.04835 0.40353 3.44828
61 3IX8 TX3 0.04109 0.4006 3.46821
62 1LRH NLA 0.01603 0.40011 3.68098
63 3UN3 G16 0.004681 0.4443 4.02299
64 5BVE 4VG 0.02396 0.43964 4.02299
65 3AGC RCC 0.008372 0.43846 4.02299
66 2R5V HHH 0.003647 0.43656 4.02299
67 1ZHX HC3 0.008955 0.43495 4.02299
68 3V91 UPG 0.007654 0.43406 4.02299
69 5FLJ QUE 0.008926 0.43168 4.02299
70 2XK9 XK9 0.01773 0.4299 4.02299
71 4QTB 38Z 0.01413 0.4276 4.02299
72 5HCY 60D 0.02775 0.42569 4.02299
73 2C4I BTN 0.008092 0.42443 4.02299
74 4ER2 IVA VAL VAL STA ALA STA 0.03042 0.42077 4.02299
75 2X34 UQ8 0.04359 0.41791 4.02299
76 2J3M ATP 0.01812 0.41498 4.02299
77 2X32 OTP 0.04982 0.41453 4.02299
78 4BKJ STI 0.02816 0.4083 4.02299
79 5DXT 5H5 0.0217 0.40597 4.02299
80 1BHX ASP PHE GLU GLU ILE 0.005114 0.42773 4.08163
81 4ZSI 4R1 0.001009 0.47049 4.09357
82 4ZSI GLP 0.009326 0.41983 4.09357
83 3T2W BTN 0.008118 0.4171 4.09836
84 2ARC ARA 0.003591 0.43276 4.26829
85 1N5S ADL 0.003504 0.44321 4.46429
86 5T7I LAT NAG GAL 0.001676 0.4421 4.51613
87 5DQ8 FLF 0.0009429 0.48419 4.5977
88 1J3R 6PG 0.0004321 0.4821 4.5977
89 5EOB 5QQ 0.004173 0.47693 4.5977
90 1TFZ 869 0.006888 0.43233 4.5977
91 3PFG TLO 0.02268 0.42919 4.5977
92 5LRT ADP 0.01483 0.42021 4.5977
93 4H6B 10Y 0.00761 0.41891 4.5977
94 4H6B 10X 0.008173 0.41504 4.5977
95 3O2K DST 0.008917 0.40924 4.5977
96 2XIQ MLC 0.03383 0.40712 4.5977
97 1GP6 QUE 0.04187 0.40006 4.5977
98 1OGZ EQU 0.002817 0.44232 4.8
99 3X00 ZOF EDN ZOF 0.0106 0.46558 5.17241
100 3X00 ZOF ZOF EDN 0.01085 0.46558 5.17241
101 4JJJ CE6 0.002848 0.46314 5.17241
102 3S7O LBV 0.01481 0.42949 5.17241
103 1ST0 GTG 0.02128 0.42353 5.17241
104 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 0.04082 0.40948 5.17241
105 2X06 NAD 0.03016 0.40413 5.17241
106 2B9H ADP 0.02446 0.403 5.17241
107 4BCS BTN 0.0014 0.46315 5.6
108 2GC0 PAN 0.000609 0.4848 5.74713
109 1ZB6 DIN 0.002073 0.47171 5.74713
110 1ZB6 GST 0.002205 0.47171 5.74713
111 5HV0 AKG 0.002624 0.44737 5.74713
112 4QDF 30Q 0.003103 0.44511 5.74713
113 4GCZ FMN 0.01025 0.42283 5.74713
114 4C0C WVH 0.0218 0.41881 5.74713
115 3G6K FAD 0.02575 0.41691 5.74713
116 3G6K POP 0.02339 0.41691 5.74713
117 5JO1 6LM 0.02132 0.40817 5.74713
118 3KDJ A8S 0.02352 0.40402 5.74713
119 1E1O LYS 0.03676 0.40286 5.74713
120 4JH6 FCN 0.001025 0.43324 5.7971
121 2Y6O 1N1 0.03168 0.40139 6.18557
122 1OFZ FUC 0.0002871 0.48033 6.32184
123 2VEG PMM 0.002411 0.4415 6.32184
124 4MP8 NAD 0.02425 0.42553 6.32184
125 1JL0 PUT 0.005415 0.4194 6.32184
126 1OFZ FUL 0.003727 0.41519 6.32184
127 4C2V YJA 0.03182 0.40988 6.32184
128 1LN1 DLP 0.04801 0.40308 6.32184
129 2ZSC BTN 0.006197 0.4269 6.38298
130 4PSB GA3 0.02311 0.42131 6.45161
131 4Y24 TD2 0.01039 0.41141 6.49351
132 1MJJ HAL 0.02818 0.40658 6.60793
133 1VYF OLA 0.02534 0.40768 6.66667
134 5ML3 DL3 0.007173 0.45139 6.71141
135 4Q0K GA3 0.0168 0.40465 6.79012
136 3A5Z KAA 0.02769 0.41351 6.89655
137 3C2O NTM 0.02387 0.413 6.89655
138 3A5Y KAA 0.03057 0.40564 6.89655
139 4LIT AKG 0.01016 0.40416 6.89655
140 1ZP9 ATP 0.02027 0.40361 6.89655
141 3FW9 SLX 0.02418 0.40327 6.89655
142 1O6U PLM 0.02202 0.40193 6.89655
143 3NNT DQA 0.002665 0.44148 7.47126
144 5IH9 6BF 0.01105 0.44076 7.47126
145 2OI9 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.02551 0.43042 7.47126
146 1ZM1 BGC BGC BGC 0.01502 0.40879 7.47126
147 5LXB 7A9 0.01089 0.40223 7.47126
148 3KDM TES 0.007616 0.4005 7.47126
149 1MDC PLM 0.01197 0.42325 7.57576
150 2Z6C FMN 0.01747 0.41083 7.75194
151 3FW4 CAQ 0.00001707 0.57927 7.86517
152 4NG2 OHN 0.02666 0.40358 7.9646
153 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.03499 0.41957 8.04598
154 1NKI PPF 0.006407 0.41669 8.04598
155 1JS3 PLP 142 0.01338 0.41592 8.04598
156 5A5W GUO 0.03794 0.41526 8.04598
157 2WT2 GAL NAG GAL NAG GAL NAG 0.03141 0.40529 8.04598
158 1WUB OTP 0.004823 0.46678 8.62069
159 3VQ2 LP4 LP5 MYR DAO 0.009475 0.45152 8.62069
160 1Y0G 8PP 0.03209 0.42088 8.62069
161 3EWC MCF 0.01807 0.41537 8.62069
162 4DE9 VTP 0.03305 0.41155 8.62069
163 3CV6 HXS 0.04356 0.41101 8.62069
164 3FU8 3DM 0.02185 0.40637 8.62069
165 3FU7 D2M 0.0044 0.40143 8.62069
166 2AGC DAO 0.009717 0.41123 8.64198
167 2P7Q GG6 0.00009751 0.51034 9.02256
168 4XCB AKG 0.00431 0.42525 9.1954
169 2FB3 GTP 0.0229 0.41624 9.1954
170 2B3B GLC 0.009078 0.41166 9.1954
171 3PGU OLA 0.01234 0.40866 9.1954
172 2B3B BGC 0.01227 0.40493 9.1954
173 1I82 BGC BGC 0.01023 0.40432 9.1954
174 1G9J BGC SGC BGC SGC BGC SGC BGC SGC 0.01067 0.4628 9.77011
175 3E2M E2M 0.01453 0.42217 9.77011
176 3LVW GSH 0.02764 0.41857 9.77011
177 2Z81 PCJ 0.02941 0.40978 9.77011
178 5K7K 6RJ 0.02659 0.40865 9.77011
179 3KYO LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.01631 0.42245 10
180 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.006312 0.44924 10.101
181 5U98 1KX 0.00977 0.44889 10.101
182 5L2J 6UL 0.0138 0.45588 10.2041
183 5L2J 70E 0.01448 0.45588 10.2041
184 2Q4H AMP 0.0389 0.40164 10.3448
185 1I7M PUT 0.009187 0.40571 10.4478
186 4YLZ LAT NAG GAL 0.001822 0.44178 10.4575
187 2GJ5 VD3 0.01137 0.44043 10.4938
188 2IXC TRH 0.02366 0.40585 10.8911
189 2BW7 ECS 0.0448 0.41902 10.9195
190 1OGX EQU 0.001027 0.467 11.4504
191 3SCM LGN 0.01464 0.44937 12.069
192 3T0X DIW 0.01108 0.41704 12.069
193 4H2V AMP 0.01587 0.41678 12.069
194 5UR1 YY9 0.04221 0.40411 12.069
195 4AZP A9M 0.03714 0.40007 12.3188
196 2QL9 CIT 0.002261 0.41359 12.3711
197 1ODM ASV 0.01438 0.42305 12.6437
198 2IFB PLM 0.01131 0.4257 12.9771
199 1OPB RET 0.0188 0.40902 13.4328
200 3B1Q NOS 0.01182 0.41857 14.9425
201 3SAO NKN 0.002999 0.43962 16.25
202 4UWJ MYA 0.0487 0.42206 17.8161
203 4UWJ 7L5 0.0487 0.42206 17.8161
204 4QCK ASD 0.01135 0.41394 20.1149
205 2QO4 CHD 0.006073 0.44941 23.0159
206 4IMO PWZ 0.004766 0.41015 36.2069
207 4O9S 2RY 0.000005152 0.41569 39.0805
208 1ERB ETR 0.00000685 0.60425 40.2299
209 1IIU RTL 0.000004612 0.44306 42.5287
210 1LNM DTX 0.00001083 0.57943 46.5517
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