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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 510 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 391 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 (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1RXJ - BNI C16 H20 N4 O4 S c1cc(ccc1N....
2 1SWK Ka ~ 1000000000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
3 2RTR - IMI C10 H17 N3 O2 S C1[C@H]2[C....
4 4CPI - LH4 C36 H44 N6 O8 S3 c1cc(c(c(c....
5 2RTD - BTN C10 H16 N2 O3 S C1[C@H]2[C....
6 3WYQ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
7 2RTK - GLL C4 H6 N4 O2 C12C(NC(=O....
8 1LCZ - BH7 C16 H27 N3 O4 S C1[C@H]2[C....
9 1SWN Ka ~ 1000000000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
10 1RST Kd = 37 uM ALA TRP ARG HIS PRO GLN PHE GLY GLY n/a n/a
11 2RTG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
12 1SLE Kd = 670 nM ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
13 4CPE - LUV C31 H34 N4 O3 S c1ccc(cc1)....
14 2RTE - BTN C10 H16 N2 O3 S C1[C@H]2[C....
15 3WZP - ZOF C16 H28 N4 O3 S [H]/N=C/1N....
16 1VWF Kd ~ 2200 nM ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
17 1Y55 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
18 1Y52 Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
19 2FHN - BNI C16 H20 N4 O4 S c1cc(ccc1N....
20 1WBI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
21 3WZQ Kd = 0.00000145 M ZOF C16 H28 N4 O3 S [H]/N=C/1N....
22 3VHH Ka = 400000000 M^-1 VHH C12 H20 N2 O3 S CN1[C@H]2C....
23 2A5B Kd = 117 uM 8HG C10 H13 N5 O5 C1[C@@H]([....
24 3VHM Ka = 15000 M^-1 NPK C20 H23 N3 O9 S C[C@H](c1c....
25 5IRU - B9P C26 H24 N2 O2 S c1cc2ccc3c....
26 1LDO - SNR C9 H14 N2 O3 S C1[C@H]2[C....
27 2QCB - KYS C24 H31 Cl N5 O4 Ru S2 c1cc(ccc1N....
28 5IRA - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
29 2C1S - BSO C10 H16 N2 O4 S C1[C@H]2[C....
30 2C1Q Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
31 4BJ8 Kd = 3.745 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
32 4GDA - BTN C10 H16 N2 O3 S C1[C@H]2[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BTN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 BTQ 1 1
2 BTN 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 BNI 0.554054 0.656716
11 41M 0.554054 0.830189
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 with APoc: 122
This union binding pocket(no: 1) in the query (biounit: 1wbi.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2HZQ STR None
2 4B1M FRU FRU None
3 3U2U UDP None
4 4MA6 28E None
5 3FW4 CAQ None
6 6MPT C30 None
7 2P7Q GG6 None
8 4RYV ZEA None
9 4Q5M ROC None
10 3KA2 2NC None
11 1QXW M1C None
12 3GM5 CIT None
13 6C8X BVR None
14 4WG0 CHD None
15 3MWS 017 None
16 1SU2 ATP 1.55039
17 4NJS G08 2.0202
18 2GC0 PAN 2.32558
19 4J25 OGA 3.10078
20 1OLM VTQ 3.10078
21 5C3R AKG 3.10078
22 5C3R HMU 3.10078
23 4OCV ANP 3.10078
24 5UIU 8CG 3.71517
25 2GJ5 VD3 3.87597
26 2R5V HHH 3.87597
27 5HA0 LTD 3.87597
28 2JIG PD2 3.87597
29 1QIN GIP 3.87597
30 6GW4 CHO 3.87597
31 6GVZ CHO 3.87597
32 4IGQ OGA 4.65116
33 5HV0 AKG 4.65116
34 5SWI BMA 4.65116
35 3N9P OGA 4.65116
36 5DX9 T6P 4.65116
37 4UIB GWX 4.65116
38 1Y9Q MED 4.65116
39 3PG7 PTY 4.65116
40 1KGI T4A 4.72441
41 1QD1 FON 5.42636
42 4H69 10Y 5.42636
43 4MNS 2AX 5.42636
44 2WKQ FMN 5.42636
45 5AYI BGC 5.42636
46 2ARC ARA 6.20155
47 1I7M PUT 6.20155
48 3DZ6 PUT 6.20155
49 5O9W AKG 6.20155
50 6EOZ 58K 6.20155
51 6EOZ AKG 6.20155
52 2XMY CDK 6.20155
53 5LN8 GAL 6.20155
54 5GZK BGC 6.20155
55 4J36 FAD 6.20155
56 4FFG LBS 6.20155
57 2PVN P63 6.20155
58 5G6U YJM 6.97674
59 3Q8G PEE 6.97674
60 5GNX BGC 6.97674
61 5JWP AKG 6.97674
62 3P3N AKG 6.97674
63 2Y0I AKG 6.97674
64 3MTX PGT 6.97674
65 1H2M OGA 6.97674
66 5TFZ 7BC 6.97674
67 2XUM OGA 6.97674
68 1H2K OGA 6.97674
69 5WBF LAC 6.97674
70 4OCT AKG 6.97674
71 4XF6 INS 6.97674
72 4XF6 LIP 6.97674
73 4XF6 ADP 6.97674
74 5A5W GUO 7.75194
75 5KD6 LBU 7.75194
76 5KD6 6C7 7.75194
77 5ML3 DL3 7.75194
78 5A67 3PO 7.75194
79 2VGD XYP XYP 7.75194
80 2C3W GLC GLC GLC GLC 7.84314
81 1NC4 DOF 8.52713
82 1QY1 PRZ 8.52713
83 5EFW FMN 8.52713
84 2V0U FMN 8.52713
85 5DJU FMN 8.52713
86 1UNB PN1 9.30233
87 1UNB AKG 9.30233
88 4H6B 10X 9.30233
89 2RIO ADP 9.30233
90 4H6B 10Y 9.30233
91 4LA7 A1O 9.30233
92 4JIE BMA 9.30233
93 5DXI TRE 10.0775
94 6AMI TRP 10.0775
95 2JLD AG1 10.0775
96 4QXB OGA 10.2941
97 6FMC DUE 10.7595
98 6FXR AKG 10.8527
99 2RDQ AKG 10.8527
100 2VVT I24 10.8527
101 5Y4K AKR 11.6279
102 2CHT TSA 13.3858
103 2YBP 2HG 13.9535
104 4WOE 3S5 13.9535
105 5Z54 0HZ 13.9535
106 4M1U A2G MBG 14.2857
107 2BOS GLA GAL 14.7059
108 2BOS GLA GAL GLC 14.7059
109 2E40 LGC 15.5039
110 5DKK FMN 15.5039
111 4RLT FSE 15.5039
112 5XIJ ANP 15.5039
113 5XIJ 873 15.5039
114 4CCN OGA 16.2791
115 4CNO 9PY 16.2791
116 5DJT FMN 16.3934
117 5LUN OGA 17.0543
118 1NP0 NGT 17.8295
119 6F6D AKG 18.6047
120 1LFO OLA 19.5312
121 4R38 RBF 20.155
122 5JSP DQY 24.8062
Pocket No.: 2; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found with APoc: 26
This union binding pocket(no: 2) in the query (biounit: 1wbi.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3E8T UQ8 None
2 3FSM 2NC None
3 4EES FMN None
4 2P3B 3TL None
5 6GBV FMN 3.87597
6 3N9Q OGA 4.65116
7 4DBH OXL 4.65116
8 3N9O OGA 4.65116
9 2PR5 FMN 5.42636
10 1NVM OXL 6.20155
11 4YDQ HFG 6.20155
12 4YDQ ANP 6.20155
13 3HQ9 OXL 6.97674
14 5IXG OTP 6.97674
15 4NRT 2NG 6.97674
16 5T2Z 017 7.07071
17 3TTM PUT 7.75194
18 1NC2 DOE 8.52713
19 2Z6D FMN 8.52713
20 1H8S AIC 9.30233
21 6HLX G9Z 10.8527
22 4WO4 JLS 11.6279
23 5LY2 OGA 13.9535
24 3P7N FMN 18.6047
25 5W19 9TD 20.155
26 1NOW IFG 26.3566
Pocket No.: 3; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found with APoc: 17
This union binding pocket(no: 3) in the query (biounit: 1wbi.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4JH6 FCN None
2 5D6T NGA 1.55039
3 1PHK ATP 2.32558
4 1EWF PC1 3.10078
5 2J8C U10 3.87597
6 5LI1 ANP 4.65116
7 5IH9 6BF 5.42636
8 3H9A PPY 6.20155
9 5XWV NDP 6.20155
10 5YIF 8VR 6.20155
11 6A1G 9OL 6.20155
12 6GPA GAL 8.52713
13 2W8Q SIN 9.30233
14 5U98 1KX 10.0775
15 4HDK 13X 10.0775
16 5XQW 8EU 12.4031
17 6CDG PRO GLY LEU TRP LYS SER 24.8062
Pocket No.: 4; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found with APoc: 8
This union binding pocket(no: 4) in the query (biounit: 1wbi.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3PUA OGA 6.20155
2 4J36 1HR 6.20155
3 5EO8 TFU 7.75194
4 6BU0 IHP 8.52713
5 3QRC SCR 13.1783
6 5FWE OGA 13.9535
7 1C5C TK4 14.7287
8 3ZGJ RMN 16.2791
Pocket No.: 5; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found with APoc: 3
This union binding pocket(no: 5) in the query (biounit: 1wbi.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3PE2 E1B None
2 2P3C 3TL None
3 5AB1 BCD TA5 HP6 MAN 11.6279
Pocket No.: 6; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found with APoc: 5
This union binding pocket(no: 6) in the query (biounit: 1wbi.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4C01 QY9 2.32558
2 3G2Y GF4 4.65116
3 4IJP 1EH 6.20155
4 1Y7P RIP 9.30233
5 3W21 AKG 9.30233
Pocket No.: 7; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found with APoc: 4
This union binding pocket(no: 7) in the query (biounit: 1wbi.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1MLD CIT 3.10078
2 4NAO AKG 9.30233
3 5WYZ 7VF 11.6279
4 3RUG DB6 19.1919
Pocket No.: 8; Query (leader) PDB : 1WBI; Ligand: BTN; Similar sites found with APoc: 3
This union binding pocket(no: 8) in the query (biounit: 1wbi.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1VYF OLA 3.87597
2 5TZO 7V7 7.75194
3 3UG4 AHR 8.52713
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