Receptor
PDB id Resolution Class Description Source Keywords
1BFV 2.1 Å NON-ENZYME: IMMUNE MONOCLONAL ANTIBODY FRAGMENT FV4155 FROM E. COLI MUS MUSCULUS IMMUNOGLOBULIN FV FRAGMENT STEROID HORMONE FINE SPECIFICITY
Ref.: ANTIBODY FRAGMENT FV4155 BOUND TO TWO CLOSELY RELATED STEROID HORMONES: THE STRUCTURAL BASIS OF FINE SPECIFICITY. STRUCTURE V. 5 937 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
STG H:200;
Valid;
none;
Ka ~ 10000000 M^-1
464.505 C24 H32 O9 C[C@]...
ZN H:201;
L:200;
L:201;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CFV 2.1 Å NON-ENZYME: IMMUNE MONOCLONAL ANTIBODY FRAGMENT FV4155 FROM E. COLI MUS MUSCULUS FV FRAGMENT STEROID HORMONE FINE SPECIFICITY IMMUNOGLOBULIN
Ref.: ANTIBODY FRAGMENT FV4155 BOUND TO TWO CLOSELY RELATED STEROID HORMONES: THE STRUCTURAL BASIS OF FINE SPECIFICITY. STRUCTURE V. 5 937 1997
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 2BFV - STG C24 H32 O9 C[C@]12CC[....
2 1BFV Ka ~ 10000000 M^-1 STG C24 H32 O9 C[C@]12CC[....
3 1CFV Ka ~ 100000000 M^-1 E3G C24 H30 O8 C[C@]12CC[....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 2BFV - STG C24 H32 O9 C[C@]12CC[....
2 1BFV Ka ~ 10000000 M^-1 STG C24 H32 O9 C[C@]12CC[....
3 1CFV Ka ~ 100000000 M^-1 E3G C24 H30 O8 C[C@]12CC[....
4 2CJU - PHX C14 H14 N2 O4 c1ccc(cc1)....
5 1WZ1 - DNS C18 H25 N3 O4 S CN(C)c1ccc....
6 43CA Kd < 1 uM NPO C6 H5 N O3 c1cc(ccc1[....
7 3DUS - KDO C8 H14 O8 C1[C@H]([C....
8 3DUR - KDO C8 H14 O8 C1[C@H]([C....
9 3DV4 - KDO C8 H14 O8 C1[C@H]([C....
10 3DUU - KDO C8 H14 O8 C1[C@H]([C....
11 3DV6 - KDO C8 H14 O8 C1[C@H]([C....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 2BFV - STG C24 H32 O9 C[C@]12CC[....
2 1BFV Ka ~ 10000000 M^-1 STG C24 H32 O9 C[C@]12CC[....
3 1CFV Ka ~ 100000000 M^-1 E3G C24 H30 O8 C[C@]12CC[....
4 2CJU - PHX C14 H14 N2 O4 c1ccc(cc1)....
5 1WZ1 - DNS C18 H25 N3 O4 S CN(C)c1ccc....
6 43CA Kd < 1 uM NPO C6 H5 N O3 c1cc(ccc1[....
7 3DUS - KDO C8 H14 O8 C1[C@H]([C....
8 3DUR - KDO C8 H14 O8 C1[C@H]([C....
9 3DV6 - KDO C8 H14 O8 C1[C@H]([C....
10 1DL7 Kd = 0.32 uM NCH C11 H18 N2 O6 P C[N+](C)(C....
11 2E27 Ka = 2220000000 M^-1 AB0 C16 H24 O8 COCO[C@H]1....
12 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
13 2BJM Ka < 100000 M^-1 ANF C14 H10 O c1ccc2c(c1....
14 1A6V - NPC C14 H17 N2 O6 c1cc(c(cc1....
15 3T0X - DIW C26 H29 N2 O3 S CC1(c2cccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STG; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 STG 1 1
2 E3G 0.67 0.913043
3 ESL 0.526882 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CFV; Ligand: E3G; Similar sites found: 3
This union binding pocket(no: 1) in the query (biounit: 1cfv.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BAS GNP 0.01469 0.40007 2.65487
2 1TB4 PEJ 0.02569 0.40062 4.20168
3 1YBH FAD 0.03221 0.40544 14.2857
Pocket No.: 2; Query (leader) PDB : 1CFV; Ligand: E3G; Similar sites found: 116
This union binding pocket(no: 2) in the query (biounit: 1cfv.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 GSH 0.001736 0.50438 None
2 3MB5 SAM 0.0001565 0.45156 None
3 1ZK4 AC0 0.00195 0.43168 None
4 1ZK4 NAP 0.00195 0.43168 None
5 1EDO NAP 0.007327 0.40643 None
6 1GXU 2HP 0.001267 0.40368 None
7 2QLX RM4 0.02409 0.40909 1.85185
8 1UGX GAL MGC 0.0009473 0.40222 2.52101
9 2Q37 3AL 0.001123 0.45813 4.20168
10 1DXY NAD 0.0006238 0.4553 4.20168
11 2XD9 XD9 0.006277 0.43226 4.20168
12 4NVP 7CH 0.0004284 0.42138 4.20168
13 4CMF PXG 0.001347 0.42012 4.42478
14 1PEA ACM 0.02036 0.41847 4.42478
15 4TMK T5A 0.02187 0.40469 5.04202
16 2NSJ C2R 0.0002021 0.46288 5.30973
17 1WVC CTP 0.009406 0.40917 5.30973
18 1KW6 BPY 0.006137 0.4053 5.30973
19 2AQJ TRP 0.005705 0.40432 5.30973
20 3MAG 3MA 0.03032 0.42282 5.88235
21 3RO7 TDR 0.01003 0.41244 5.88235
22 1HDR NAD 0.004194 0.40267 5.88235
23 1YOE RIB 0.0004 0.41371 6.19469
24 2NCD ADP 0.01865 0.404 6.19469
25 4EKV BTN 0.001594 0.40076 6.19469
26 1GR0 NAD 0.001441 0.43395 6.72269
27 1ME8 RVP 0.004152 0.41988 6.72269
28 2R7K AMZ 0.0157 0.40522 6.72269
29 2R7K ACP 0.0157 0.40522 6.72269
30 1K97 ASP 0.0004625 0.45537 7.07965
31 1K97 CIR 0.0004625 0.45537 7.07965
32 4B63 ORN 0.001909 0.45149 7.07965
33 4B63 NAP 0.001996 0.45149 7.07965
34 4B63 FAD 0.001909 0.45149 7.07965
35 1G41 ADP 0.003925 0.40767 7.07965
36 2OWZ F6P 0.00237 0.4023 7.07965
37 4P87 4NP 0.0007524 0.40214 7.07965
38 3Q3C NAD 0.0005173 0.43592 7.9646
39 2Q6K ADN 0.001246 0.43556 7.9646
40 2QS8 MET 0.0001281 0.42543 7.9646
41 2HMT NAI 0.0009995 0.42264 7.9646
42 2BNF UTP 0.0008658 0.41531 7.9646
43 1SJW NGV 0.001295 0.4232 8.40336
44 3GD8 GOL 0.000171 0.4163 8.40336
45 1RM4 NDP 0.002829 0.41555 8.40336
46 3TA2 AKG 0.001004 0.40144 8.40336
47 1JA9 NDP 0.001322 0.43267 8.84956
48 2BGM NAJ 0.001749 0.42123 8.84956
49 2R0N TGC 0.002547 0.44363 9.2437
50 3K37 BCZ 0.001443 0.43517 9.2437
51 1G8S MET 0.02582 0.40245 9.2437
52 3VGL BGC 0.00006655 0.43762 9.73451
53 3UXL CFI 0.00466 0.4223 9.73451
54 1TV5 ORO 0.002915 0.40816 9.73451
55 3CKZ ZMR 0.002028 0.4066 9.73451
56 4KS1 2H8 0.002842 0.40378 9.73451
57 3UC5 ATP 0.007016 0.40122 9.73451
58 1E8G FCR 0.005596 0.42037 10.084
59 1E8G FAD 0.005941 0.42037 10.084
60 3S9K CIT 0.000169 0.56866 10.6195
61 1D7O TCL 0.001494 0.43701 10.6195
62 1D7O NAD 0.001494 0.43701 10.6195
63 4IXW IXW 0.009168 0.40794 10.6195
64 2GJ3 FAD 0.00849 0.40762 10.6195
65 4Q0P 0MK 0.01515 0.40535 10.6195
66 1I2B USQ 0.03498 0.40005 10.6195
67 1I2B UPG 0.03498 0.40005 10.6195
68 1I2B NAD 0.03498 0.40005 10.6195
69 3C2O NTM 0.00168 0.43954 11.5044
70 3OIG NAD 0.005407 0.40583 11.5044
71 4DA6 GA2 0.003077 0.41128 11.7647
72 4HA6 FAD 0.003227 0.40196 11.7647
73 4KCF AKM 0.001375 0.41981 12.3894
74 1A5Z NAD 0.002911 0.40712 12.3894
75 1YBQ BDH 0.001459 0.40449 12.3894
76 3F81 STT 0.0397 0.40396 12.3894
77 4HE2 AMP 0.001152 0.40249 12.426
78 2BLE 5GP 0.0002177 0.45398 12.605
79 3SHR CMP 0.009084 0.40369 12.605
80 4N02 FNR 0.0009481 0.42701 13.2743
81 1V7R CIT 0.03462 0.41969 13.2743
82 3EAU NDP 0.01256 0.40256 13.2743
83 3EAU PDN 0.01256 0.40256 13.2743
84 1EXB NDP 0.01118 0.4011 13.2743
85 2NZ2 CIR 0.000171 0.42163 13.4454
86 1GSA ADP 0.003931 0.40276 14.1593
87 1YBH P22 0.0001152 0.43356 14.2857
88 1P4C FMN 0.001285 0.43175 14.2857
89 4IVG ANP 0.0008012 0.42771 14.2857
90 1DRV A3D 0.0006052 0.42992 15.0442
91 3CL7 HYN 0.0003516 0.40707 15.0442
92 1X1T NAD 0.001066 0.43731 15.126
93 3FPZ AHZ 0.001939 0.43177 15.9664
94 2E1A MSE 0.002908 0.42867 16
95 1PJ6 FOL 0.00002773 0.46994 16.8067
96 3DJL FAD 0.01476 0.40003 17.6471
97 2PP3 LGT 0.01179 0.4025 17.6991
98 4A3R CIT 0.001751 0.40197 17.6991
99 2IMP NAI 0.003356 0.42321 19.3277
100 1AL8 FMN 0.001241 0.42131 19.3277
101 2GGH NLQ 0.00101 0.41199 19.469
102 4OYA 1VE 0.005271 0.42414 21.0084
103 2GN4 NDP 0.04477 0.40456 21.0084
104 2X61 CH 0.0000901 0.44825 21.8487
105 2X61 NGA GAL SIA 0.006633 0.40135 21.8487
106 1I9G SAM 0.0001071 0.45288 22.1239
107 2FH5 GTP 0.001794 0.41037 22.1239
108 1LVL FAD 0.002255 0.40709 22.1239
109 2Q1A 2KT 0.0002639 0.40435 22.6891
110 1NVV GNP 0.0009277 0.42904 23.0089
111 1V6A TRE 0.002523 0.44257 23.8938
112 1LTH NAD 0.006097 0.40403 25.6637
113 4GQB 0XU 0.003136 0.40941 27.2727
114 1T26 NAI 0.006567 0.41877 30.0885
115 1T26 GBD 0.006567 0.41877 30.0885
116 4G1V FAD 0.002952 0.43205 35.3982
Pocket No.: 3; Query (leader) PDB : 1CFV; Ligand: E3G; 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: 1cfv.bio4) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1CFV; Ligand: E3G; Similar sites found: 11
This union binding pocket(no: 4) in the query (biounit: 1cfv.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 CIT 0.0003052 0.53365 None
2 4LTN NAI 0.001886 0.41342 2.52101
3 4COQ SAN 0.0195 0.4081 6.19469
4 4TSK NDP 0.003532 0.41076 6.85714
5 1RLZ NAD 0.006722 0.40652 10.9244
6 2ZO9 MLI 0.003995 0.41576 11.7647
7 3KPE TM3 0.003202 0.44417 13.7255
8 2YYJ 4HP 0.01232 0.4039 14.1593
9 2YYJ FAD 0.01232 0.4039 14.1593
10 4AF0 IMP 0.001317 0.41863 15.126
11 2FWP CIT 0.0003096 0.42022 21.2389
Feedback