Receptor
PDB id Resolution Class Description Source Keywords
4BX7 2.26 Å NON-ENZYME: BINDING TRANS-DIVALENT STREPTAVIDIN BOUND TO BIOTIN-4-FLUORESCEIN STREPTOMYCES AVIDINII BIOTIN-BINDING PROTEIN AVIDIN BIOTIN
Ref.: PLUG-AND-PLAY PAIRING VIA DEFINED DIVALENT STREPTAV J.MOL.BIOL. V. 426 199 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B4F B:1134;
Valid;
none;
submit data
644.694 C33 H32 N4 O8 S c1cc(...
MPD A:1134;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BX7 2.26 Å NON-ENZYME: BINDING TRANS-DIVALENT STREPTAVIDIN BOUND TO BIOTIN-4-FLUORESCEIN STREPTOMYCES AVIDINII BIOTIN-BINDING PROTEIN AVIDIN BIOTIN
Ref.: PLUG-AND-PLAY PAIRING VIA DEFINED DIVALENT STREPTAV J.MOL.BIOL. V. 426 199 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 4BX7 - B4F C33 H32 N4 O8 S c1cc(c(cc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 4BX7 - B4F C33 H32 N4 O8 S c1cc(c(cc1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 4BX7 - B4F C33 H32 N4 O8 S c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: B4F; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 B4F 1 1
2 LUV 0.423358 0.823529
3 FLG 0.416058 0.648649
4 BH7 0.409449 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BX7; Ligand: B4F; Similar sites found: 98
This union binding pocket(no: 1) in the query (biounit: 4bx7.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 GSH 0.002247 0.49618 None
2 2QLX RM4 0.0005957 0.48726 None
3 2HZQ STR 0.001673 0.47601 None
4 1Y9Q MED 0.0009249 0.47052 None
5 1SS4 CIT 0.02882 0.45612 None
6 4IAW LIZ 0.00469 0.43959 None
7 4NS0 PIO 0.007967 0.43544 None
8 2C5S AMP 0.004366 0.42284 None
9 1LNX URI 0.00694 0.41932 None
10 4UTU LRY 0.008212 0.41927 None
11 4F4S EFO 0.01152 0.4098 None
12 4CO3 ATP 0.002217 0.40393 None
13 3JUC PCA 0.04761 0.40196 None
14 1SQ5 PAU 0.008391 0.41576 1.5625
15 1M5B BN1 0.003051 0.41011 1.5625
16 4JH6 FCN 0.0192 0.41294 2.25564
17 3UEC ALA ARG TPO LYS 0.002318 0.45912 2.34375
18 3RGA LSB 0.002091 0.44321 2.34375
19 3F81 STT 0.02521 0.42148 2.34375
20 3SK2 GRI 0.03109 0.40701 2.34375
21 2PP3 LGT 0.005857 0.40436 2.34375
22 1EYE PMM 0.0006652 0.4456 3.125
23 1MUU SUC 0.01938 0.43079 3.125
24 1ZJ6 G3D 0.005929 0.40828 3.125
25 2Z9V PXM 0.01611 0.4035 3.125
26 3L6C MLI 0.04309 0.40775 3.7594
27 4GJY OGA 0.002611 0.46493 3.90625
28 4F8L GAL 0.01608 0.44765 3.90625
29 3ZPG 5GP 0.02186 0.42471 3.90625
30 3FS8 ACO 0.004765 0.41392 3.90625
31 1QY1 PRZ 0.00006797 0.4124 3.90625
32 2WA4 069 0.01715 0.40757 3.90625
33 3P3N AKG 0.03022 0.40517 3.90625
34 3BY8 MLT 0.0008678 0.47947 4.51128
35 3DGB MUC 0.000962 0.43931 4.6875
36 4LHM AZZ 0.004078 0.43485 4.6875
37 2BKA NDP 0.0001317 0.42473 4.6875
38 2C7G ODP 0.002086 0.4141 4.6875
39 2C7G FAD 0.002921 0.40999 4.6875
40 2J07 HDF 0.002519 0.40722 4.6875
41 2J07 FAD 0.002519 0.40722 4.6875
42 1VDC FAD 0.003725 0.40078 4.6875
43 3S9K CIT 0.0006618 0.54144 5.08475
44 1Z44 NPO 0.001221 0.51096 5.46875
45 2Q37 3AL 0.001856 0.45005 5.46875
46 1T0S BML 0.008912 0.43771 5.46875
47 1O4T OXL 0.01108 0.40542 5.46875
48 1BTN I3P 0.001344 0.50626 5.66038
49 2GUE NAG 0.02495 0.40116 5.7377
50 2Q8H TF4 0.0005332 0.50808 6.25
51 1YOA FMN 0.01126 0.45642 6.25
52 4FFG LBS 0.002289 0.45285 6.25
53 1PEA ACM 0.03639 0.40717 6.25
54 2HKA C3S 0.008555 0.40458 6.25
55 2XVE FAD 0.0007255 0.43424 7.03125
56 3U7Y FLC 0.03179 0.43385 7.03125
57 1V7R CIT 0.03246 0.42357 7.03125
58 4H6B 10X 0.009384 0.4204 7.03125
59 4H6B 10Y 0.02204 0.40592 7.03125
60 4KCF AKM 0.003289 0.40426 7.03125
61 4JWX 1N4 0.01598 0.40365 7.03125
62 2R5T ANP 0.002021 0.40213 7.03125
63 1RYI FAD 0.002996 0.4002 7.5188
64 3QV9 QV7 0.001073 0.46063 7.8125
65 2F2U M77 0.0007704 0.44851 7.8125
66 2EB5 OXL 0.008889 0.42526 7.8125
67 1V5F FAD 0.03429 0.40329 7.8125
68 1V5F TPP 0.03429 0.40329 7.8125
69 1YRX FMN 0.005091 0.40669 8.26446
70 2Y7G AAE 0.003878 0.40712 8.59375
71 3LKF PC 0.03127 0.40137 8.59375
72 2V5E SCR 0.04436 0.41509 8.91089
73 2G30 ALA ALA PHE 0.007043 0.42825 9.375
74 4C12 ADP 0.002055 0.41269 9.375
75 1RZM PEP 0.002587 0.43779 10.1562
76 1F1V DHY 0.002017 0.43684 10.1562
77 1RZM E4P 0.008345 0.43254 10.1562
78 4E28 9MZ 0.02276 0.40634 10.1562
79 2OAT PFM 0.003945 0.40297 10.1562
80 3NFZ 3NF 0.004365 0.41351 11.2782
81 2O2C G6Q 0.004794 0.40369 11.2782
82 1H2M OGA 0.02835 0.40663 11.5385
83 2XDQ MGX 0.001439 0.48585 11.7188
84 1A5Z FBP 0.01959 0.42573 11.7188
85 2DTX BMA 0.001017 0.41104 11.7188
86 3KYQ DPV 0.03459 0.40365 11.7188
87 4COQ SAN 0.01261 0.41824 12.0301
88 4DYO SD4 0.003696 0.42587 12.5
89 1Y42 TYR 0.00579 0.42271 12.5
90 1UF5 CDT 0.004607 0.41708 14.2857
91 1H2K OGA 0.03085 0.40446 14.6341
92 3LTW HLZ 0.002982 0.44712 15.0376
93 1O9U ADZ 0.004396 0.46081 16.6667
94 2OVW CBI 0.03838 0.40124 17.2932
95 2OVD DAO 0.02806 0.41032 17.9688
96 3T31 DCQ 0.004425 0.40468 18.0451
97 2PR5 FMN 0.0007124 0.42544 22.7273
98 4K30 NLG 0.007361 0.41821 36.7188
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