-->
Receptor
PDB id Resolution Class Description Source Keywords
2VDY 2.3 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE REACTIVE LOOP CLEAVED CORTICOSTEROI GLOBULIN COMPLEXED WITH CORTISOL HOMO SAPIENS GLYCOPROTEIN LIPID-BINDING STEROID-BINDING DISEASE MUTATICORTICOSTEROID BINDING GLOBULIN TRANSPORT PROTEIN CBG SECLEAVED SECRETED CORTISOL TRANSPORT
Ref.: THE S-TO-R TRANSITION OF CORTICOSTEROID-BINDING GLO THE MECHANISM OF HORMONE RELEASE. J.MOL.BIOL. V. 380 244 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HCY A:1384;
B:1384;
Valid;
Valid;
none;
none;
submit data
362.46 C21 H30 O5 C[C@]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VDY 2.3 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE REACTIVE LOOP CLEAVED CORTICOSTEROI GLOBULIN COMPLEXED WITH CORTISOL HOMO SAPIENS GLYCOPROTEIN LIPID-BINDING STEROID-BINDING DISEASE MUTATICORTICOSTEROID BINDING GLOBULIN TRANSPORT PROTEIN CBG SECLEAVED SECRETED CORTISOL TRANSPORT
Ref.: THE S-TO-R TRANSITION OF CORTICOSTEROID-BINDING GLO THE MECHANISM OF HORMONE RELEASE. J.MOL.BIOL. V. 380 244 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2VDY - HCY C21 H30 O5 C[C@]12CCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2VDY - HCY C21 H30 O5 C[C@]12CCC....
2 2V95 - HCY C21 H30 O5 C[C@]12CCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4PYW - ACE THR THR ALA ILE NH2 n/a n/a
2 2VDY - HCY C21 H30 O5 C[C@]12CCC....
3 2V95 - HCY C21 H30 O5 C[C@]12CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HCY; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 HCY 1 1
2 C0R 0.551724 0.933333
3 AS4 0.544444 0.911111
4 ZK5 0.451613 0.918367
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VDY; Ligand: HCY; Similar sites found with APoc: 207
This union binding pocket(no: 1) in the query (biounit: 2vdy.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 3UST FAD 1.1236
3 6CEP OXM 1.1976
4 4AVB ACO 1.2012
5 3V1V GST 1.34048
6 1FCH TYR GLN SER LYS LEU 1.3587
7 3U5S FAD 1.5873
8 4MRP GSH 1.60858
9 5AA4 6X4 1.60858
10 4YAC NAI 1.6835
11 6CB2 OLC 1.70648
12 3ET1 ET1 1.71821
13 2P54 735 1.87266
14 2C78 PUL 1.87668
15 4NES UDP 1.87668
16 2DTX BMA 1.89394
17 2Q2Y ADP 1.90736
18 2Q2Y MKR 1.90736
19 2CJF RP4 1.91083
20 4O4Z N2O 1.94805
21 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 1.97368
22 5LGA 6VH 2
23 5KBZ 3B2 2.14477
24 3RDE OYP 2.14477
25 1V8B NAD 2.14477
26 5DB3 58Q 2.14477
27 2GDZ NAD 2.24719
28 3V66 D3A 2.35294
29 3WR7 COA 2.35294
30 3O55 FAD 2.4
31 1OQC FAD 2.4
32 3JRS A8S 2.40385
33 3HP9 CF1 2.41287
34 4QJR PIZ 2.44898
35 4IS0 1R4 2.48963
36 1ZDT PEF 2.48963
37 2A92 NAI 2.49221
38 1YP0 PEF 2.51046
39 4N14 WR7 2.54777
40 2YYE APC 2.6087
41 2QV6 GTP 2.61194
42 2NXW TPP 2.68097
43 6IIU A8X 2.68097
44 3LSJ COA PLM 2.72727
45 4DK7 0KS 2.83401
46 1PN0 IPH 2.94906
47 5EK3 5PK 2.94906
48 3AHQ FAD 2.94906
49 3KO0 TFP 2.9703
50 6AYH C3G 2.98507
51 4W4S B29 3
52 1XRO LEU 3.07167
53 3W5N RAM 3.21716
54 5TVI MYR 3.26087
55 3W54 RNB 3.34347
56 4X9X OLA 3.34448
57 2IUW AKG 3.36134
58 6ESN BWE 3.37079
59 3RV5 DXC 3.37079
60 2OZ5 7XY 3.37838
61 3P0K FAD 3.38346
62 3ZJ0 ACO 3.39806
63 3ET3 ET1 3.42466
64 2DSA HPX 3.44828
65 2DSA GSH 3.44828
66 1N20 3AG 3.48525
67 3Q8G PEE 3.48525
68 1O0S NAI 3.48525
69 3EUT DCR 3.48525
70 5X8Q 82R 3.48837
71 3RUU 37G 3.49345
72 5ICK FEZ 3.49345
73 4F06 PHB 3.50404
74 3FRQ ERY 3.58974
75 5N7O 69Y 3.61991
76 5TWO 7MV 3.67647
77 1T26 GBD 3.72671
78 1T26 NAI 3.72671
79 3M3E GAL A2G NPO 3.72671
80 2QJY SMA 3.74332
81 1R6B ADP 3.75335
82 5B4B LP5 3.75335
83 1ZED PNP 3.75335
84 2BPM 529 3.77358
85 5Z3I ADE 3.77358
86 4KWD JF2 3.82166
87 5N87 N66 3.83387
88 3WCA FPS 3.83562
89 2BP1 FLC 3.88889
90 5XJ8 NKO 3.9801
91 2CHG ANP 3.9823
92 2HJ3 FAD 4
93 3CEV ARG 4.01338
94 3PP0 03Q 4.02145
95 5NJI 8Z2 4.03727
96 1NU4 MLA 4.12371
97 3VVY ET 4.12371
98 3PVT 3HC 4.18006
99 3HLX PQQ 4.26357
100 4B7S QLE 4.28954
101 3V78 ET 4.32692
102 5TIV A3P 4.34783
103 3GWN FAD 4.38596
104 4JMO JAF 4.5
105 5XDT ZI7 4.54545
106 4IQY AR6 4.58333
107 3P7N FMN 4.65116
108 2HFK E4H 4.70219
109 2B96 ANN 4.87805
110 1JQ9 PHE LEU SER TYR LYS 4.95868
111 3MBG FAD 5.03597
112 3GWT 066 5.09915
113 6BMM OLB 5.11945
114 6F9Q NAD 5.14706
115 4BNU 9KQ 5.20446
116 2R40 EPH 5.32319
117 5AAV GW5 5.55556
118 4HIA FMN 5.68182
119 4CQM NAP 5.7377
120 3LN0 52B 5.89812
121 5X7Q GLC GLC GLC GLC GLC 5.89812
122 5X7Q GLC GLC GLC GLC 5.89812
123 5JO1 6LM 5.97015
124 2GWH PCI 6.04027
125 3P9C SAH 6.04396
126 5TDU PCR 6.16883
127 3RMK BML 6.20915
128 5G3N X28 6.29921
129 3KDJ A8S 6.32911
130 1FIQ MTE 6.39269
131 3SFI 3SF 6.77966
132 5X5M 7YU 6.94444
133 2EV1 OLA 6.97051
134 4V1F BQ1 6.97674
135 5IDB BMA 7.04225
136 3TGE TGE 7.05521
137 4R38 RBF 7.14286
138 3HSS MLA 7.16724
139 6BVK EAV 7.18563
140 6BVM EBV 7.18563
141 6BVL EBY 7.18563
142 6BVI EC4 7.18563
143 6D5H FV7 7.18563
144 6D56 FVM 7.18563
145 6D59 FVJ 7.18563
146 6D5G FVD 7.18563
147 6D55 FWA 7.18563
148 6D5M FW4 7.18563
149 6BVJ EAS 7.18563
150 4OHU NAD 7.26644
151 4OHU 2TK 7.26644
152 1Y9Q MED 7.29167
153 6C7D EOJ 7.30994
154 4XT8 TMQ 7.36434
155 1YUC EPH 7.45098
156 4EIL NDP 7.5067
157 4BVM VCA 7.5188
158 4BVM PLM 7.5188
159 4Y9D NAI 7.54098
160 1ZDU P3A 7.7551
161 2YPO PHE 7.7748
162 2X5W K2B 7.7748
163 4HSE ADP 7.7748
164 3KP6 SAL 7.94702
165 4LY9 1YY 8.0429
166 1NY5 ADP 8.0429
167 3MGB PAP 8.15047
168 6BMS PLM 8.21114
169 1SZ0 M6P 8.31099
170 4URX FK1 8.64865
171 1XVB BHL 8.82353
172 2O4J VD4 8.90411
173 6AYI C3G 9.04523
174 4R57 ACO 9.09091
175 2ZCQ B65 9.21502
176 3T50 FMN 9.375
177 5XPL 8C9 9.5941
178 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 10
179 1T0S BML 10.4651
180 6FS0 E4W 10.6977
181 3GWL FAD 12.2642
182 5JSP DQY 12.4378
183 2BCG GER 12.6214
184 5CSD ACD 13.2075
185 4S15 4D8 13.2812
186 1O7Q GAL NAG 13.4948
187 1O7Q UDP 13.4948
188 4MNS 2AX 14.4654
189 5DKK FMN 14.4828
190 3HUJ AGH 15.4472
191 6GMN F4E 15.4639
192 5X80 SAL 15.625
193 4LA7 A1O 17.0984
194 2Y69 CHD 19.0476
195 2CIX CEJ 19.0635
196 5Z84 CHD 25.5319
197 5ZCO CHD 25.5319
198 5W97 CHD 25.5319
199 2IBZ SMA 28.3465
200 3CX5 SMA 28.5714
201 3CXH SMA 28.5714
202 1EZV SMA 28.8
203 4OGQ UMQ 29.7297
204 2A06 SMA 30.8642
205 3BEJ MUF 36
206 1RDT 570 36
207 1K7L 544 42.8571
Pocket No.: 2; Query (leader) PDB : 2VDY; Ligand: HCY; Similar sites found with APoc: 37
This union binding pocket(no: 2) in the query (biounit: 2vdy.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5GUE GGS 0.906344
2 6BR9 PGV 1.67131
3 2Z5F A3P 1.67785
4 4D7M TDC 1.84332
5 3DMH SAM 1.87668
6 1Q20 A3P 2.00669
7 1Q20 PLO 2.00669
8 3QVV 3QV 2.0339
9 3QVV A3P 2.0339
10 3GYT DL4 2.04918
11 3GN8 DEX 2.40964
12 3QCP FAD 2.41287
13 1YMT DR9 2.43902
14 4HBM 0Y7 2.5
15 4P25 FUC GAL NAG FUC 2.64901
16 1PU7 39A 3.66972
17 2I74 MAN MAN MAN MAN 3.7037
18 5WRE 7TL 3.87097
19 1XON PIL 5.15759
20 2PK3 A2R 5.36193
21 2GWH A3P 6.04027
22 4QEK GLC 7.30897
23 1I36 NAP 8.71212
24 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 8.84354
25 1LRI CLR 10.2041
26 5LUN OGA 10.2273
27 5LUN ARG 10.2273
28 5E70 RCD 10.7239
29 3T58 FAD 13.941
30 3FAL REA 14.4628
31 4M8E 29V 15.1515
32 1JR8 FAD 15.3846
33 5LWY OLB 21.0084
34 1C4Q GLA GAL BGC 21.7391
35 2DYR PGV 25.5319
36 5Z84 PGV 25.5319
37 2DYS PGV 25.5319
APoc FAQ
Feedback