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Receptor
PDB id Resolution Class Description Source Keywords
2GJ5 2.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF A SECONDARY VITAMIN D3 BINDING SITE OF MILK BETA-LACTOGLOBULIN BOS TAURUS BETA-LACTOGLOBULIN VITAMIN D3 TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURE OF A SECONDARY VITAMIN D3 BINDING SITE OF MILK BETA-LACTOGLOBULIN. PROTEINS V. 71 1197 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
VD3 A:163;
A:164;
Valid;
Valid;
none;
none;
Kd = 4.74 nM
384.638 C27 H44 O CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GJ5 2.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF A SECONDARY VITAMIN D3 BINDING SITE OF MILK BETA-LACTOGLOBULIN BOS TAURUS BETA-LACTOGLOBULIN VITAMIN D3 TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURE OF A SECONDARY VITAMIN D3 BINDING SITE OF MILK BETA-LACTOGLOBULIN. PROTEINS V. 71 1197 2008
Members (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3NQ3 Kd = 166 uM DKA C10 H20 O2 CCCCCCCCCC....
2 1GX8 - RTL C20 H30 O CC1=C(C(CC....
3 3UEX - STE C18 H36 O2 CCCCCCCCCC....
4 5NUK - Z80 C17 H19 Cl N2 S CN(C)CCCN1....
5 1B0O - PLM C16 H32 O2 CCCCCCCCCC....
6 3UEV Ka = 778000 M^-1 MYR C14 H28 O2 CCCCCCCCCC....
7 1GX9 - REA C20 H28 O2 CC1=C(C(CC....
8 3UEW Ka = 2040000 M^-1 PLM C16 H32 O2 CCCCCCCCCC....
9 3NQ9 Kd = 92.6 uM OCA C8 H16 O2 CCCCCCCC(=....
10 5NUN - Z80 C17 H19 Cl N2 S CN(C)CCCN1....
11 6GFS Kd = 0.00000145 M F15 C15 H30 O2 CCCCCCCCCC....
12 3UEU Ka = 172000 M^-1 DAO C12 H24 O2 CCCCCCCCCC....
13 4IB6 Ka = 248000 M^-1 DAO C12 H24 O2 CCCCCCCCCC....
14 4Y0Q Ka = 3000 M^-1 PX9 C17 H27 N O3 CCCCOc1ccc....
15 5NUM - Z80 C17 H19 Cl N2 S CN(C)CCCN1....
16 6GE7 Kd = 0.00000145 M EW8 C19 H38 O2 CCCCCCCCCC....
17 6GHH Kd = 0.00000145 M TDA C13 H26 O2 CCCCCCCCCC....
18 6GF9 Kd = 0.00000145 M X90 C17 H34 O2 CCCCCCCCCC....
19 2GJ5 Kd = 4.74 nM VD3 C27 H44 O CC(C)CCC[C....
20 4Y0P Ka = 885 M^-1 TE4 C15 H24 N2 O2 CCCCNc1ccc....
21 1BSO - BRC C12 H23 Br O2 C(CCCCCC(=....
22 4Y0R Ka = 3000 M^-1 PX9 C17 H27 N O3 CCCCOc1ccc....
23 5K06 - MYR C14 H28 O2 CCCCCCCCCC....
24 5HTD - MYR C14 H28 O2 CCCCCCCCCC....
25 1GXA - PLM C16 H32 O2 CCCCCCCCCC....
26 4Y0S Ka = 20800 M^-1 PX9 C17 H27 N O3 CCCCOc1ccc....
70% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 3NQ3 Kd = 166 uM DKA C10 H20 O2 CCCCCCCCCC....
2 1GX8 - RTL C20 H30 O CC1=C(C(CC....
3 3UEX - STE C18 H36 O2 CCCCCCCCCC....
4 5NUK - Z80 C17 H19 Cl N2 S CN(C)CCCN1....
5 1B0O - PLM C16 H32 O2 CCCCCCCCCC....
6 3UEV Ka = 778000 M^-1 MYR C14 H28 O2 CCCCCCCCCC....
7 1GX9 - REA C20 H28 O2 CC1=C(C(CC....
8 3UEW Ka = 2040000 M^-1 PLM C16 H32 O2 CCCCCCCCCC....
9 3NQ9 Kd = 92.6 uM OCA C8 H16 O2 CCCCCCCC(=....
10 5NUN - Z80 C17 H19 Cl N2 S CN(C)CCCN1....
11 6GFS Kd = 0.00000145 M F15 C15 H30 O2 CCCCCCCCCC....
12 3UEU Ka = 172000 M^-1 DAO C12 H24 O2 CCCCCCCCCC....
13 4IB6 Ka = 248000 M^-1 DAO C12 H24 O2 CCCCCCCCCC....
14 4Y0Q Ka = 3000 M^-1 PX9 C17 H27 N O3 CCCCOc1ccc....
15 5NUM - Z80 C17 H19 Cl N2 S CN(C)CCCN1....
16 6GE7 Kd = 0.00000145 M EW8 C19 H38 O2 CCCCCCCCCC....
17 6GHH Kd = 0.00000145 M TDA C13 H26 O2 CCCCCCCCCC....
18 6GF9 Kd = 0.00000145 M X90 C17 H34 O2 CCCCCCCCCC....
19 2GJ5 Kd = 4.74 nM VD3 C27 H44 O CC(C)CCC[C....
20 4Y0P Ka = 885 M^-1 TE4 C15 H24 N2 O2 CCCCNc1ccc....
21 1BSO - BRC C12 H23 Br O2 C(CCCCCC(=....
22 4Y0R Ka = 3000 M^-1 PX9 C17 H27 N O3 CCCCOc1ccc....
23 5K06 - MYR C14 H28 O2 CCCCCCCCCC....
24 5HTD - MYR C14 H28 O2 CCCCCCCCCC....
25 1GXA - PLM C16 H32 O2 CCCCCCCCCC....
26 4Y0S Ka = 20800 M^-1 PX9 C17 H27 N O3 CCCCOc1ccc....
50% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 3NQ3 Kd = 166 uM DKA C10 H20 O2 CCCCCCCCCC....
2 1GX8 - RTL C20 H30 O CC1=C(C(CC....
3 3UEX - STE C18 H36 O2 CCCCCCCCCC....
4 5NUK - Z80 C17 H19 Cl N2 S CN(C)CCCN1....
5 1B0O - PLM C16 H32 O2 CCCCCCCCCC....
6 3UEV Ka = 778000 M^-1 MYR C14 H28 O2 CCCCCCCCCC....
7 1GX9 - REA C20 H28 O2 CC1=C(C(CC....
8 3UEW Ka = 2040000 M^-1 PLM C16 H32 O2 CCCCCCCCCC....
9 3NQ9 Kd = 92.6 uM OCA C8 H16 O2 CCCCCCCC(=....
10 5NUN - Z80 C17 H19 Cl N2 S CN(C)CCCN1....
11 6GFS Kd = 0.00000145 M F15 C15 H30 O2 CCCCCCCCCC....
12 3UEU Ka = 172000 M^-1 DAO C12 H24 O2 CCCCCCCCCC....
13 4IB6 Ka = 248000 M^-1 DAO C12 H24 O2 CCCCCCCCCC....
14 4Y0Q Ka = 3000 M^-1 PX9 C17 H27 N O3 CCCCOc1ccc....
15 5NUM - Z80 C17 H19 Cl N2 S CN(C)CCCN1....
16 6GE7 Kd = 0.00000145 M EW8 C19 H38 O2 CCCCCCCCCC....
17 6GHH Kd = 0.00000145 M TDA C13 H26 O2 CCCCCCCCCC....
18 6GF9 Kd = 0.00000145 M X90 C17 H34 O2 CCCCCCCCCC....
19 2GJ5 Kd = 4.74 nM VD3 C27 H44 O CC(C)CCC[C....
20 4Y0P Ka = 885 M^-1 TE4 C15 H24 N2 O2 CCCCNc1ccc....
21 1BSO - BRC C12 H23 Br O2 C(CCCCCC(=....
22 4Y0R Ka = 3000 M^-1 PX9 C17 H27 N O3 CCCCOc1ccc....
23 5K06 - MYR C14 H28 O2 CCCCCCCCCC....
24 5HTD - MYR C14 H28 O2 CCCCCCCCCC....
25 1GXA - PLM C16 H32 O2 CCCCCCCCCC....
26 4Y0S Ka = 20800 M^-1 PX9 C17 H27 N O3 CCCCOc1ccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: VD3; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 VD3 1 1
2 VDY 0.78481 0.921053
3 AYT 0.58427 0.921053
4 YS2 0.556818 0.772727
5 VDX 0.553191 0.853659
6 VDZ 0.532609 0.853659
7 YSV 0.532609 0.853659
8 MVD 0.525773 0.853659
9 9RO 0.519608 0.755556
10 8BO 0.519608 0.755556
11 VD2 0.516129 0.829268
12 C33 0.514852 0.833333
13 O1C 0.509804 0.795455
14 ZNE 0.504673 0.641509
15 YS3 0.5 0.829268
16 AYK 0.5 0.666667
17 C3O 0.490385 0.76087
18 B0B 0.489583 0.921053
19 VD1 0.488636 0.804878
20 YSD 0.484211 0.785714
21 OCC 0.481132 0.744681
22 TEJ 0.470588 0.717391
23 8BL 0.466667 0.772727
24 TX5 0.46 0.809524
25 AKX 0.457944 0.790698
26 BIV 0.435644 0.853659
27 JC1 0.423077 0.755556
28 8J3 0.418182 0.767442
29 8J0 0.418182 0.767442
30 9KX 0.401961 0.761905
31 7ZU 0.401961 0.804878
32 MC9 0.401961 0.761905
33 ICJ 0.4 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GJ5; Ligand: VD3; Similar sites found with APoc: 522
This union binding pocket(no: 1) in the query (biounit: 2gj5.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
2 2OVD DAO None
3 4CSD MFU None
4 2GUE NAG None
5 3T2W BTN None
6 1IS3 LAT None
7 5DG2 GAL GLC None
8 4QPW XYP XYP XYP None
9 3M3E GAL A2G NPO None
10 6A63 LAT None
11 2HYQ MAN MAN None
12 4GGZ BTN None
13 2GUD BMA None
14 5EJL C2E None
15 3ZW0 FUC None
16 1Y52 BTN None
17 2VDF OCT None
18 2HYR BGC GLC None
19 4WUJ FMN None
20 4BCS BTN None
21 2NUO BGC None
22 3TTZ 07N None
23 5L8N 6RQ None
24 1V7R CIT None
25 1DZT TPE None
26 3MTX PGT None
27 3L5R 47X None
28 2BS5 BGC GAL FUC None
29 2NU5 NAG None
30 3T50 FMN None
31 4KBA 1QM None
32 2UZ2 BTN None
33 5VGS 9A4 None
34 5M6N 7H9 None
35 5D3X 4IP None
36 4MNS 2AX None
37 1QIN GIP None
38 1U29 I3P None
39 5VGS 9A7 None
40 2X34 UQ8 None
41 2X32 OTP None
42 6F7X MFU None
43 1DZT ATY None
44 3ZW2 GLA NAG GAL FUC None
45 2Z6D FMN None
46 4MA6 28E None
47 2BOS GLA GAL None
48 2BYC FMN None
49 4RFR RHN None
50 1ZEI CRS None
51 2Z6C FMN None
52 4J8T DOG None
53 3ZW2 NAG GAL FUC None
54 5K21 6QF None
55 2VSL MAA LYS PRO PHE None
56 2QX0 PH2 None
57 5W4W 9WG None
58 1KJ1 MAN None
59 1YRX FMN None
60 2QL9 CIT 1.23457
61 3ZJX BOG 1.23457
62 3GD9 GLC BGC BGC BGC 1.23457
63 5HA0 LTD 1.28205
64 3EW2 BTN 1.48148
65 6BYM HC3 1.85185
66 6H36 FKE 1.85185
67 5EXK 5AD 1.85185
68 5LPB ADP 1.85185
69 2PUZ NIG 1.85185
70 4YBN FAD 1.85185
71 4HIA FMN 1.85185
72 1NYW DAU 1.85185
73 4U0W 16G 1.85185
74 5B09 4MX 1.92308
75 5GP0 GPP 2.01342
76 3HCH RSM 2.05479
77 5FUI APY 2.27273
78 1OGX EQU 2.29008
79 5HWV MBN 2.30769
80 2GTF P1R 2.46914
81 6GW4 CHO 2.46914
82 5UC4 83S 2.46914
83 3FW3 ETS 2.46914
84 5N53 8NB 2.46914
85 6F3G CJN 2.46914
86 5OFW 9TW 2.46914
87 3RWP ABQ 2.46914
88 6D6L FY4 2.46914
89 4RLT FSE 2.53165
90 4EES FMN 2.6087
91 5FPX GLY SER SER HIS HIS HIS HIS HIS 2.65487
92 4Z28 BTN 2.98507
93 2HKA C3S 3.07692
94 4COQ SAN 3.08642
95 2VQ5 HBA 3.08642
96 4MOB ADP 3.08642
97 4JGP PYR 3.08642
98 2YBP 2HG 3.08642
99 2AG4 OLA 3.08642
100 2AG4 LP3 3.08642
101 1RYD GLC 3.08642
102 3PUR 2HG 3.08642
103 3BXO UPP 3.08642
104 1Y42 TYR 3.08642
105 5XEG AKG 3.08642
106 1JLX GAL A2G MBN 3.08642
107 5W75 SUC 3.08642
108 1Y0G 8PP 3.08642
109 3A5Y KAA 3.08642
110 2GC0 PAN 3.08642
111 4M8D 23J 3.08642
112 5LY1 PPI 3.08642
113 4CS4 AXZ 3.08642
114 3FU7 D2M 3.08642
115 3HYW DCQ 3.08642
116 1ZDT PEF 3.08642
117 2VN9 GVD 3.08642
118 4WNP 3RJ 3.08642
119 5DQW ADP 3.08642
120 2GQR ADP 3.08642
121 2WKQ FMN 3.08642
122 4J4V SVR 3.08642
123 4H69 10Y 3.08642
124 4GCZ FMN 3.08642
125 1OGZ EQU 3.2
126 2V0U FMN 3.42466
127 6GBV FMN 3.42466
128 5EFW FMN 3.44828
129 5DJT FMN 3.44828
130 5DJU FMN 3.44828
131 3VY6 BGC BGC 3.5461
132 2CBT TH2 3.57143
133 2Z77 HE7 3.59712
134 5SVV FMN 3.64964
135 1M0W ANP 3.7037
136 2VFT SOR 3.7037
137 3RDO BTN 3.7037
138 4ZNO SUC 3.7037
139 3I8T LBT 3.7037
140 2ET1 GLV 3.7037
141 3G1Z AMP 3.7037
142 4HSJ 6PC 3.7037
143 4KCT PYR 3.7037
144 1SDW IYT 3.7037
145 3FHR P4O 3.7037
146 1J3R 6PG 3.7037
147 4AZW ATP 3.7037
148 1JPA ANP 3.7037
149 2NU8 COA 3.7037
150 4BG4 ADP 3.7037
151 4Y8D 49J 3.7037
152 3MBI HSX 3.7037
153 6MPT C30 3.7037
154 5Y80 IRE 3.7037
155 1YKD CMP 3.7037
156 5DYO FLU 3.77358
157 4EKV BTN 3.77358
158 5H9Q TD2 3.87097
159 1WBI BTN 3.87597
160 3PNA CMP 3.8961
161 4TW7 37K 3.90625
162 4BJ8 BTN 3.96825
163 4IPH 1FJ 4.06504
164 2E56 MYR 4.16667
165 1QKQ MAN 4.22535
166 5TZO 7V7 4.32099
167 6FA4 D1W 4.32099
168 4G7A AZM 4.32099
169 4XJ6 GH3 4.32099
170 5ZMY TAR 4.32099
171 5H2U 1N1 4.32099
172 4NPL AKG 4.32099
173 5G48 1FL 4.32099
174 5Z54 0HZ 4.32099
175 3A06 NDP 4.32099
176 5YJS SAL 4.32099
177 5MRH Q9Z 4.32099
178 2QHV OC9 4.32099
179 4DOO DAO 4.32099
180 3H7J PPY 4.32099
181 3G58 988 4.32099
182 2GQS C2R 4.32099
183 2C49 ADN 4.32099
184 3Q60 ATP 4.32099
185 3H9R TAK 4.32099
186 2OVW CBI 4.32099
187 3OQJ 3CX 4.32099
188 2FHK MFN 4.32099
189 6EXF LYS 4.32099
190 1Q6I FK5 4.32099
191 5I0U DCY 4.32099
192 2R5V HHH 4.32099
193 4WN5 MVC 4.34783
194 5IXH OTP 4.34783
195 3WUD GLC GAL 4.41176
196 1NKI PPF 4.44444
197 5F6U 5VK 4.4586
198 3ZXE PGZ 4.51128
199 5T7I LAT NAG GAL 4.51613
200 1MDC PLM 4.54545
201 2PR5 FMN 4.54545
202 3CM2 X23 4.61538
203 2FKA BEF 4.65116
204 5C79 PBU 4.66667
205 2XEM SSV 4.66667
206 4BX7 B4F 4.6875
207 5ML3 DL3 4.69799
208 4CPH LH4 4.72441
209 4K55 H6P 4.83871
210 2JIG PD2 4.93827
211 5KWY C3S 4.93827
212 4L4J NAG NAG BMA MAN NAG 4.93827
213 5HV0 AKG 4.93827
214 3RGA LSB 4.93827
215 2PNC CLU 4.93827
216 3ACL 3F1 4.93827
217 2WA4 069 4.93827
218 5J75 6GQ 4.93827
219 4A91 GLU 4.93827
220 4LIT AKG 4.93827
221 5A86 D7E 4.93827
222 5L2R MLA 4.93827
223 1V2A GTS 4.93827
224 1QFT HSM 4.93827
225 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 4.93827
226 1H8S AIC 4.93827
227 4TS1 TYR 4.93827
228 5GLT BGC GAL NAG GAL 4.93827
229 5XIO HFG 4.93827
230 4NM5 ADP 4.93827
231 3LVW GSH 4.93827
232 1OJJ GLC GAL 4.93827
233 5VAD PRO 4.93827
234 3FYS PLM 4.93827
235 1OJK GLC BGC 4.93827
236 1L5Y BEF 4.93827
237 1ZHX HC3 4.93827
238 5ISY NAD 4.93827
239 2CDO GAL AAL GAL AAL GAL AAL 5
240 2WPU KYT 5.03145
241 3GM5 CIT 5.03145
242 4JH6 FCN 5.07246
243 3QRC SCR 5.09554
244 1G1T SIA GAL MAG FUC 5.09554
245 5LHT TIH 5.55556
246 3KYF 5GP 5GP 5.55556
247 5OES ADP 5.55556
248 5EPQ OLA 5.55556
249 1U6R ADP 5.55556
250 5X7Q GLC GLC GLC GLC GLC 5.55556
251 5X7Q GLC GLC GLC GLC 5.55556
252 4W9N TCL 5.55556
253 4GC1 MAN MAN 5.55556
254 1OKE BOG 5.55556
255 5H9Y BGC BGC BGC BGC BGC 5.55556
256 3QSB 743 5.55556
257 2QF7 AGS 5.55556
258 4ZSI GLP 5.55556
259 4D06 NAR 5.55556
260 3E2M E2M 5.55556
261 5D9G GLU ASN LEU TYR PHE GLN 5.55556
262 1DMY AZM 5.55556
263 3WG3 A2G GAL NAG FUC 5.55556
264 4QAC KK3 5.55556
265 4HN1 TYD 5.55556
266 1OIK AKG 5.55556
267 3HQR OGA 5.55556
268 4OPC FDA 5.55556
269 5MOB A8S 5.55556
270 2WEI VGG 5.55556
271 1OIJ AKG 5.55556
272 4OPC PGT 5.55556
273 3VV1 GAL FUC 5.625
274 1WW5 SGA BGC 5.625
275 2QM9 TDZ 5.80645
276 2VWA PTY 5.94059
277 3KP6 SAL 5.96026
278 2P7Q GG6 6.01504
279 1JAC AMG 6.01504
280 5TBM 79A 6.08696
281 6BU0 IHP 6.10687
282 3P7G MAN 6.16438
283 2RDE C2E 6.17284
284 1H3F TYE 6.17284
285 3JU6 ANP 6.17284
286 4FFG LBS 6.17284
287 1F9V ADP 6.17284
288 1ZNY GDP 6.17284
289 3NZ1 3NY 6.17284
290 4RD0 GDP 6.17284
291 4P7X AKG 6.17284
292 4P7X YCP 6.17284
293 4WOE ADP 6.17284
294 2FCU AKG 6.17284
295 1F52 ADP 6.17284
296 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 6.17284
297 4FFG 0U8 6.17284
298 3KYG 5GP 5GP 6.17284
299 4B1M FRU FRU 6.17284
300 2RHQ GAX 6.17284
301 3X01 AMP 6.17284
302 1XVB BHL 6.17284
303 5AZC PGT 6.17284
304 6F5U CQN 6.17284
305 4N14 WR7 6.17284
306 4MLO PAM 6.17284
307 5T96 79J 6.17284
308 5W10 CMP 6.17284
309 2VOT NHV 6.17284
310 1W96 S1A 6.17284
311 3W68 VIV 6.17284
312 3A6T 8OG 6.20155
313 2D6M LBT 6.28931
314 3E85 BSU 6.32911
315 2ZSC BTN 6.38298
316 2CM4 RCL 6.66667
317 1GU3 BGC BGC BGC BGC BGC 6.71141
318 5LXB 7A9 6.79012
319 3JQ3 ADP 6.79012
320 1ELI PYC 6.79012
321 1VRP ADP 6.79012
322 1Z03 OCH 6.79012
323 5C5T AKG 6.79012
324 5LUN OGA 6.79012
325 1Q79 3AT 6.79012
326 3GFZ FMN 6.79012
327 3WV6 GAL GLC 6.79012
328 3WV6 GAL BGC 6.79012
329 1YFS ALA 6.79012
330 1SBR VIB 6.79012
331 1Y7P RIP 6.79012
332 3KN5 ANP 6.79012
333 1NX4 AKG 6.79012
334 3SCH TB6 6.79012
335 4QOM PYG 6.79012
336 5U9J GER 6.79012
337 5L9V OGA 6.79012
338 5L9B AKG 6.79012
339 6CC0 EWM 6.79012
340 3JRS A8S 6.79012
341 2YMZ LAT 6.92308
342 4JNJ BTN 6.95652
343 5TVF CGQ 7.05882
344 2HRL SIA GAL SIA BGC NGA CEQ 7.08661
345 1C1L GAL BGC 7.29927
346 5KJW 53C 7.40741
347 4OCT AKG 7.40741
348 4QDC ASD 7.40741
349 5UPK ANP 7.40741
350 3NNF AKG 7.40741
351 2ZL7 FUC GAL NGA 7.40741
352 4OCX MT1 7.40741
353 2DDQ HRB 7.40741
354 6AC9 ANP 7.40741
355 1I82 BGC BGC 7.40741
356 1KI6 AHU 7.40741
357 3U6W KIV 7.40741
358 5BU3 4W9 7.40741
359 5F7Y GLC GAL NAG GAL FUC A2G 7.5
360 5BVB DOG 7.57576
361 4Y24 TD2 7.79221
362 2CHT TSA 7.87402
363 1TW4 CHD 8
364 6FXR AKG 8.02469
365 2OG7 SIN 8.02469
366 1UNB AKG 8.02469
367 1UNB PN1 8.02469
368 5XQW 8EU 8.02469
369 6CAY ERG 8.02469
370 2CYB TYR 8.02469
371 3A76 SPD 8.02469
372 2VL1 GLY GLY 8.02469
373 2NZ2 CIR 8.02469
374 5C3R HMU 8.02469
375 5C3R AKG 8.02469
376 1HXD BTN 8.02469
377 1SLT NDG GAL 8.20895
378 3STK PLM 8.33333
379 4D4U FUC NDG GAL FUC 8.64198
380 5O9W AKG 8.64198
381 4D52 GIV 8.64198
382 4D4U FUC GAL NDG FUC 8.64198
383 2QK4 ATP 8.64198
384 4D4U FUC GAL NAG 8.64198
385 4HWT 1B2 8.64198
386 2RDQ AKG 8.64198
387 4D52 GXL 8.64198
388 4YGF AZM 8.64198
389 5YXC CIT 8.64198
390 5Z46 GST 8.64198
391 1A78 TDG 8.95522
392 3OYW TDG 8.95522
393 1W6P NDG GAL 8.95522
394 5EZU MYR 8.98876
395 4J25 OGA 9.25926
396 2OJW ADP 9.25926
397 1LSH PLD 9.25926
398 3QP8 HL0 9.25926
399 3DAK ANP 9.25926
400 3T4L ZEA 9.25926
401 1GPM AMP 9.25926
402 3NNT DQA 9.25926
403 2A1L PCW 9.25926
404 4USF 6UI 9.25926
405 3VQ2 LP4 LP5 MYR DAO 9.25926
406 1B55 4IP 9.25926
407 5NVX 4YY 9.27835
408 4W9H 3JF 9.27835
409 4WVW SLT 9.72222
410 4NG2 OHN 9.73451
411 4QYN RTL 9.77444
412 4YLZ LAT NAG GAL 9.80392
413 4XCB AKG 9.87654
414 5Y4R C2E 9.87654
415 5NFB 8VT 9.87654
416 4QXB OGA 9.87654
417 5OCG 9R5 9.87654
418 5XLY C2E 9.87654
419 3H0L ADP 9.87654
420 6FOF LAT 9.87654
421 2WDQ CBE 10.0775
422 5H9P TD2 10.1266
423 5VM6 9EG 10.219
424 5C8W PCG 10.4895
425 2HZQ STR 10.4938
426 4X5S AZM 10.4938
427 5FPE 3TR 10.4938
428 6B9T 2HE 10.4938
429 1T27 PCW 10.4938
430 5AWM ANP 10.4938
431 4UBS DIF 10.4938
432 4YZ5 SLT 10.4938
433 5IHE D5M 10.4938
434 1ULE GLA GAL NAG 10.6667
435 4ZU4 4TG 10.8108
436 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 11.1111
437 3QXV MTX 11.1111
438 3ZGJ RMN 11.1111
439 3EFS BTN 11.1111
440 1VA6 ADP 11.1111
441 6E1Q CFA 11.1111
442 4M26 AKG 11.1111
443 5A0U CHT 11.1111
444 1VA6 P2S 11.1111
445 6HDT BTN 11.2782
446 2G30 ALA ALA PHE 11.7284
447 4FE2 AIR 11.7284
448 1MJJ HAL 11.7284
449 5YRL GLC GLC 11.9718
450 4WQQ MAN 12.0567
451 4YEE 4CQ 12.2222
452 4EE7 PIS 12.3457
453 4ZH7 FUC GAL NAG GAL FUC 12.3457
454 5IN3 G1P 12.3457
455 5DKK FMN 12.4138
456 2C1Q BTN 12.6984
457 5I8T LAC 12.963
458 2AGC DAO 12.963
459 3SHR CMP 12.963
460 5DXT 5H5 12.963
461 2IUW AKG 12.963
462 5YRI GLC GLC 13.3803
463 5YRF GLC GLC 13.3803
464 5YRG BGC GLC 13.3803
465 5YRJ BGC GLC 13.3803
466 4RT1 C2E 13.3929
467 2Z3U CRR 13.5802
468 1I7E IBS 13.5802
469 2J5B TYE 13.5802
470 4OFG PCG 13.8889
471 4RF7 ARG 14.1975
472 1QPR PPC 14.1975
473 4HK8 XYP XYP XYP XYP XYP XYP 14.1975
474 5AIG VPR 14.4
475 5KK4 44E 14.5833
476 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 14.8148
477 5JNN 6LM 14.8148
478 5KEW 6SB 14.8936
479 4IAW LIZ 15.4321
480 4QDF 30Q 15.4321
481 5EO8 TFU 15.4321
482 5FU3 BGC BGC BGC 16.0377
483 2HHP FLC 16.0494
484 4GLW 0XT 16.0494
485 3IWD M2T 16.1765
486 4BCM T7Z 16.6667
487 4BCN T9N 16.6667
488 1EFY BZC 16.6667
489 2XMY CDK 16.6667
490 4KU7 PCG 16.9935
491 4MJ0 SIA SIA 18.5185
492 4RYV ZEA 18.7097
493 2GVJ DGB 19.1358
494 4O12 2QG 19.1358
495 4OYA 1VE 20.9877
496 3B6R ADP 20.9877
497 1OFZ FUC 22.8395
498 3VMG 9CA 22.8395
499 1OFZ FUL 22.8395
500 4JX1 CAH 24.7788
501 4QCK ASD 25.3086
502 5TPV TYD 26.1438
503 4O9S 2RY 26.5432
504 1BHX ASP PHE GLU GLU ILE 26.6667
505 5CLO NS8 28.8136
506 5NKN LOC 29.6296
507 3CBC DBS 31.4815
508 2YG2 FLC 32.0988
509 2YG2 S1P 32.0988
510 3G08 FEE 32.3232
511 3RUG DB6 32.3232
512 3SAO NKN 32.5
513 3SAO DBH 32.5
514 4ORR PE3 32.716
515 4IMO PWZ 32.716
516 5C9J DAO 34.3434
517 5WL1 CUY 34.3434
518 5WL1 D3D 34.3434
519 1GT4 UNA 35.8491
520 1DZK PRZ 39.4904
521 3KFF ZBT 41.358
522 3KFF XBT 41.358
Pocket No.: 2; Query (leader) PDB : 2GJ5; Ligand: VD3; Similar sites found with APoc: 254
This union binding pocket(no: 2) in the query (biounit: 2gj5.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 SRO None
2 5MT9 ARG None
3 4OAS 2SW None
4 4U0I 0LI None
5 2PX8 MGT None
6 1D1G MTX None
7 3D72 FAD None
8 4IAE 1DX None
9 3IS2 FAD None
10 4XBA GMP None
11 4NB5 2JT None
12 2W14 WR2 None
13 3FAP ARD None
14 2WAT COA None
15 3WGT QSC None
16 4V1F BQ1 None
17 1UW1 ADP None
18 3Q85 GNP None
19 5U1M ACE LEU TYR ALA SER SER ASN PRO ALA PTR None
20 5N8V KZZ None
21 4ZRB COA None
22 5YWX GSH 1.23457
23 5YWX 93C 1.23457
24 3QCJ NX4 1.23457
25 1JR8 FAD 1.7094
26 3QCP FAD 1.85185
27 4XVX P6G FDA 1.85185
28 4XVX P33 FDA 1.85185
29 3LLI FAD 1.85185
30 5APK 76E 1.85185
31 1BUC CAA 1.85185
32 4Y7U 2KH 1.85185
33 5NTW 98N 1.85185
34 4NOS H2B 2.46914
35 4NOS H4B 2.46914
36 1VGV UD1 2.46914
37 6BQK Z1E 2.46914
38 2E0N SAH 2.46914
39 4E1N TQX 2.46914
40 4QVX 3CQ 2.46914
41 4UCI ADN 2.46914
42 1YC4 43P 2.46914
43 5FIT AP2 2.72109
44 4EHU ANP 3.08642
45 1H9G COA MYR 3.08642
46 5OLZ T4E 3.08642
47 2EW1 GNP 3.08642
48 1PJS SAH 3.08642
49 2AX9 BHM 3.08642
50 4IA6 EIC 3.08642
51 5HCN GCP 3.08642
52 4OKZ 3E9 3.08642
53 4RC8 STE 3.08642
54 1TIW TFB 3.08642
55 1TIW FAD 3.08642
56 3DCM SAM 3.08642
57 5VZ0 2BA 3.08642
58 2FH5 GTP 3.08642
59 2WKQ GTP 3.08642
60 2C9E PID 3.08642
61 4IBF 1D5 3.10078
62 5B0I BOG 3.49854
63 1TV5 N8E 3.7037
64 3KDU NKS 3.7037
65 3T58 FAD 3.7037
66 3OKI OKI 3.7037
67 1M5B BN1 3.7037
68 5DEY 59T 3.7037
69 4PGK Y69 3.7037
70 3IPQ 965 3.7037
71 2FZH DH1 3.7037
72 1A4R GNH 3.7037
73 1K7L 544 3.7037
74 2NPA MMB 3.7037
75 6C7D EOJ 3.7037
76 6C28 WCA 3.7037
77 4O8A FAD 3.7037
78 5ICK FEZ 3.7037
79 2G77 GDP 3.7037
80 1U3D FAD 3.7037
81 2EV1 OLA 3.7037
82 5A4W QCT 3.7037
83 3HZT J60 3.7037
84 1YQS BSA 3.7037
85 1QAW TRP 4.05405
86 3MBG FAD 4.31655
87 2YC5 6BC 4.32099
88 5WJ6 B4A 4.32099
89 5EXW 7DT 4.32099
90 2C31 ADP 4.32099
91 2C31 TZD 4.32099
92 6B5Q PPI CZS 2KY MLY 1XY 4.32099
93 5TUX ECH 4.32099
94 5FI7 5XZ 4.32099
95 4V24 GYR 4.32099
96 5AE2 FYC 4.32099
97 5AE2 FAD 4.32099
98 4ARE FLC 4.32099
99 4PC3 GDP 4.32099
100 5OCM NAP 4.32099
101 5V3Y 5V8 4.32099
102 1OQC FAD 4.8
103 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 4.93827
104 4ELG 52J 4.93827
105 6ARJ SAH 4.93827
106 6ARJ BW4 4.93827
107 4ELG 52I 4.93827
108 1RX0 2MC 4.93827
109 1W55 C 4.93827
110 3OYZ ACO 4.93827
111 2PZI AXX 4.93827
112 4GNI ATP 4.93827
113 6G3R ADP 4.93827
114 5DI3 GNP 4.94297
115 4K49 HFQ 5.14706
116 2QZT PLM 5.40541
117 4ZBR DIF 5.55556
118 4EKQ NPO 5.55556
119 5U3B 7TD 5.55556
120 2P1C GG3 5.55556
121 1CMC SAM 5.76923
122 1TID ATP 5.88235
123 4DDY DN6 6.17284
124 4DE3 DN8 6.17284
125 4Q0P 0MK 6.17284
126 4TWP AXI 6.17284
127 4IGH FMN 6.17284
128 4IGH ORO 6.17284
129 4IGH 1EA 6.17284
130 4M52 M52 6.17284
131 2WTX VDO 6.17284
132 2WTX UDP 6.17284
133 6CB2 OLC 6.17284
134 3QFU ADP 6.17284
135 3LDW IPE 6.17284
136 4JF5 FLC 6.17284
137 3D36 ADP 6.17284
138 3LDW ZOL 6.17284
139 6G9I CXX 6.17284
140 1N83 CLR 6.17284
141 4M52 FAD 6.17284
142 2HJ3 FAD 6.4
143 1DKF BMS 6.79012
144 5LX9 OLB 6.79012
145 4A1O JLN 6.79012
146 5O74 GDP 6.79012
147 3FAL LO2 6.79012
148 3TKL GTP 6.79012
149 3QBT GNP 6.79012
150 4LHW GNP 6.79012
151 4LPG 1MV 7.40741
152 5K52 OCD 7.40741
153 1LVG ADP 7.40741
154 4CU1 H4B 7.40741
155 2A8Y MTA 7.40741
156 3H78 BE2 7.40741
157 1HE1 GDP 7.40741
158 4IEN COA 7.40741
159 4WB7 ATP 7.40741
160 4NVQ 2OD 7.40741
161 4NVQ SAH 7.40741
162 2GJ3 FAD 7.5
163 3NRR NAP 8.02469
164 3NRR D16 8.02469
165 4URL XAM 8.02469
166 2Z9I GLY ALA THR VAL 8.02469
167 1N46 PFA 8.64198
168 3DST GRG 8.64198
169 4CO3 ATP 8.92857
170 4XB4 45D 9.21053
171 3G5D 1N1 9.25926
172 4H2V AMP 9.25926
173 3MF2 AMP 9.25926
174 4H2W 5GP 9.25926
175 4H2W AMP 9.25926
176 4H2X G5A 9.25926
177 1WVC CTP 9.25926
178 5EE7 5MV 9.25926
179 5LGA 6VH 9.25926
180 5DLY 5D7 9.25926
181 5DLY SAH 9.25926
182 3D91 REM 9.25926
183 2PSJ CEI 9.25926
184 1PS9 FAD 9.25926
185 5HW4 SAM 9.25926
186 5OBY ANP 9.25926
187 3KMZ EQO 9.87654
188 5HTX ADP 9.87654
189 5LLT DND 9.87654
190 2DSA HPX 9.87654
191 2DSA GSH 9.87654
192 3KMR EQN 9.87654
193 1KYZ SAH 9.87654
194 5K53 STE 9.87654
195 3AIA SAM 9.87654
196 3WHB DCC 10.4938
197 6HH6 A3R 10.4938
198 2P4Y C03 10.4938
199 5HGR 45D 10.4938
200 3FRQ ERY 10.4938
201 2ASF CIT 10.9489
202 1MO9 FAD 11.1111
203 4LAE 1VM 11.1111
204 4LAE NAP 11.1111
205 5UI2 EQ3 11.1111
206 4L1F COS 11.1111
207 2Y88 2ER 11.1111
208 3VX3 ADP 11.1111
209 4GU5 FAD 11.1111
210 2Z81 PCJ 11.7284
211 3EWK FAD 11.7284
212 2NYA MGD 11.7284
213 1V97 FAD 11.7284
214 5LWY OLB 11.7647
215 4DCT GDP 12.3457
216 4I6G FAD 12.3457
217 1ATL 0QI 12.3457
218 2RKN LP3 12.987
219 5B0W 22B 13.5802
220 5ECP MET 13.5802
221 3TK1 GDP 14.1975
222 3SFV GDP 14.1975
223 3FHI ANP 14.8148
224 5W7D PX8 14.8148
225 3IDB ANP 14.8148
226 1M2Z BOG 14.8148
227 5OBU ANP 14.8148
228 4I67 G G G RPC 14.9425
229 4GFD 0YB 15.4321
230 4D3F NAP 15.4321
231 1QNF FAD 15.4321
232 4PJT 2YQ 15.4321
233 6BR9 6OU 16.0494
234 1HV9 UD1 16.0494
235 1QD0 RR6 16.4062
236 2V7Y ADP 16.6667
237 1MFG GLU TYR LEU GLY LEU ASP VAL PRO VAL 16.8421
238 4NAT 2W5 16.875
239 3O3O 2RH 17.284
240 4KCF AKM 17.284
241 5IF4 6AK 17.6101
242 5NEA 8V8 17.9012
243 4RW3 SHV 18.5185
244 5N2I NAP 18.5185
245 4YSW FAD 18.5185
246 4YSW NAI 18.5185
247 4IJP 1EH 19.1358
248 4IV9 FAD 20.9877
249 1G5N UAP SGN IDS SGN 20.9877
250 3NB0 G6P 22.2222
251 4D42 W0I 24.0741
252 4D42 NAP 24.0741
253 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 34
254 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 34.6939
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