Receptor
PDB id Resolution Class Description Source Keywords
1WBI 1.4 Å NON-ENZYME: BINDING AVR2 GALLUS GALLUS AVIDIN-RELATED PROTEIN AVIDIN RELATED PROTEIN BIOTIN
Ref.: AVIDIN RELATED PROTEIN 2 SHOWS UNIQUE STRUCTURAL AND FUNCTIONAL FEATURES AMONG THE AVIDIN PROTEIN FAMILY. BMC BIOTECHNOL. V. 5 28 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTN A:1001;
B:1001;
C:1001;
D:1001;
E:1001;
F:1001;
G:1001;
H:1001;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
244.311 C10 H16 N2 O3 S C1[C@...
GOL A:1124;
B:1122;
B:1123;
C:1122;
F:1124;
F:1125;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1125;
A:1126;
A:1127;
B:1124;
C:1123;
C:1124;
E:1122;
E:1123;
F:1126;
F:1127;
G:1122;
G:1123;
H:1123;
H:1124;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WBI 1.4 Å NON-ENZYME: BINDING AVR2 GALLUS GALLUS AVIDIN-RELATED PROTEIN AVIDIN RELATED PROTEIN BIOTIN
Ref.: AVIDIN RELATED PROTEIN 2 SHOWS UNIQUE STRUCTURAL AND FUNCTIONAL FEATURES AMONG THE AVIDIN PROTEIN FAMILY. BMC BIOTECHNOL. V. 5 28 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1WBI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1Y55 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
2 1Y52 Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
3 2FHN - BNI C16 H20 N4 O4 S c1cc(ccc1N....
4 2OF8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
5 2FHL - BNI C16 H20 N4 O4 S c1cc(ccc1N....
6 2OFB - BNI C16 H20 N4 O4 S c1cc(ccc1N....
7 1WBI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
8 3VHH Ka = 400000000 M^-1 VHH C12 H20 N2 O3 S CN1[C@H]2C....
9 2A5B Kd = 117 uM 8HG C10 H13 N5 O5 C1[C@@H]([....
10 3VHM Ka = 15000 M^-1 NPK C20 H23 N3 O9 S C[C@H](c1c....
11 5IRU - B9P C26 H24 N2 O2 S c1cc2ccc3c....
12 1LDO - SNR C9 H14 N2 O3 S C1[C@H]2[C....
13 2A5C Kd = 24 uM 8DA C10 H15 N5 O4 C1[C@H]([C....
14 3VGW Ka = 200000 M^-1 NVZ C12 H18 N2 O4 S CC(=O)N1[C....
15 1IJ8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
16 3VHI Ka = 2300000 M^-1 VHI C18 H22 N2 O5 S c1ccc(cc1)....
17 2A8G Kd = 205 uM GNG C10 H13 N5 O4 c1nc2c(n1[....
18 4I60 Kd = 1.87 uM B1R C20 H16 N2 O2 Ru S C1[C@H]2[C....
19 5IRW - D9P C26 H26 N2 O2 C[C@H]1[C@....
20 2C1S - BSO C10 H16 N2 O4 S C1[C@H]2[C....
21 2C1Q Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
22 2UYW - BTN C10 H16 N2 O3 S C1[C@H]2[C....
23 2UZ2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
24 4BCS Kd = 103 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2JGS Kd = 10 fM BTN C10 H16 N2 O3 S C1[C@H]2[C....
2 1WBI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
3 2A5C Kd = 24 uM 8DA C10 H15 N5 O4 C1[C@H]([C....
4 3VGW Ka = 200000 M^-1 NVZ C12 H18 N2 O4 S CC(=O)N1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BTN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 BTN 1 1
2 BTQ 1 1
3 SHM 0.884615 1
4 SNR 0.807692 1
5 BH7 0.734375 0.921569
6 IMI 0.644068 0.803922
7 BTI 0.62069 0.914894
8 B1R 0.6 0.632353
9 BYT 0.581081 0.87037
10 41M 0.554054 0.830189
11 BNI 0.554054 0.656716
12 B9P 0.5 0.796296
13 ZOF 0.493333 0.833333
14 LUV 0.476744 0.745763
15 NVZ 0.457143 0.75
16 LH3 0.455556 0.666667
17 BSO 0.454545 0.79661
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found: 51
This union binding pocket(no: 1) in the query (biounit: 1wbi.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PE2 E1B 0.005513 0.44592 None
2 2HZQ STR 0.003817 0.43853 None
3 3FW4 CAQ 0.007824 0.41732 None
4 1QXW M1C 0.01079 0.40237 None
5 3GM5 CIT 0.0009865 0.4011 None
6 4J25 OGA 0.005322 0.43024 3.10078
7 1V7R CIT 0.01171 0.41479 3.10078
8 1OLM VTQ 0.01099 0.4118 3.10078
9 2GJ5 VD3 0.004388 0.44375 3.87597
10 2R5V HHH 0.006564 0.41019 3.87597
11 5HA0 LTD 0.01198 0.41003 3.87597
12 2JIG PD2 0.002957 0.40999 3.87597
13 1A27 NAP 0.02324 0.4014 3.87597
14 5HV0 AKG 0.001464 0.43551 4.65116
15 5SWI BMA 0.004458 0.43004 4.65116
16 1Y9Q MED 0.01536 0.40913 4.65116
17 1KGI T4A 0.01517 0.4022 4.72441
18 4MNS 2AX 0.02115 0.41892 5.42636
19 2ARC ARA 0.001697 0.44767 6.20155
20 1I7M PUT 0.002986 0.44237 6.20155
21 2XMY CDK 0.0302 0.41989 6.20155
22 4FFG LBS 0.009154 0.40675 6.20155
23 3P3N AKG 0.01054 0.41347 6.97674
24 2Y0I AKG 0.01185 0.41259 6.97674
25 3MTX PGT 0.01789 0.41257 6.97674
26 1H2M OGA 0.0115 0.41115 6.97674
27 2XUM OGA 0.0129 0.4086 6.97674
28 1H2K OGA 0.0129 0.40848 6.97674
29 3AVS OGA 0.003477 0.40376 6.97674
30 4OCT AKG 0.01307 0.4003 6.97674
31 5A5W GUO 0.01055 0.42801 7.75194
32 5ML3 DL3 0.02583 0.40567 7.75194
33 2VGD XYP XYP 0.02178 0.40167 7.75194
34 4GJY OGA 0.00345 0.44083 8.52713
35 1NC4 DOF 0.004363 0.43573 8.52713
36 1QY1 PRZ 0.003496 0.42872 8.52713
37 4H6B 10Y 0.002697 0.4379 9.30233
38 4H6B 10X 0.00403 0.41999 9.30233
39 4JIE BMA 0.01696 0.40601 9.30233
40 2RIO ADP 0.006087 0.40136 9.30233
41 5U98 1KX 0.03049 0.40492 10.0775
42 5DXI TRE 0.009379 0.40327 10.0775
43 4QXB OGA 0.003453 0.40048 10.2941
44 1JL0 PUT 0.003247 0.44173 10.8527
45 2Q8C AKG 0.009499 0.4134 13.9535
46 2BOS GLA GAL 0.001714 0.45191 14.7059
47 2BOS GLA GAL GLC 0.002125 0.4454 14.7059
48 2E40 LGC 0.005904 0.42878 15.5039
49 5DKK FMN 0.005128 0.41726 15.5039
50 4RLT FSE 0.00591 0.40443 15.5039
51 5DJT FMN 0.008717 0.40665 16.3934
Pocket No.: 2; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1wbi.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1WBI; Ligand: BTN; 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: 1wbi.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1wbi.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found: 7
This union binding pocket(no: 5) in the query (biounit: 1wbi.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3FSM 2NC 0.02022 0.40889 None
2 3IT7 TLA 0.02144 0.40055 2.32558
3 1NVM OXL 0.006619 0.42108 6.20155
4 5IXG OTP 0.03451 0.40646 6.97674
5 5T2Z 017 0.02092 0.4024 7.07071
6 5EFW FMN 0.00315 0.4009 8.52713
7 1H8S AIC 0.01562 0.40073 9.30233
Pocket No.: 6; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1wbi.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1wbi.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1wbi.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback