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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 510 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 391 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 298 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 with APoc: 114
This union binding pocket(no: 1) in the query (biounit: 4bx7.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2HZQ STR None
2 2BOS GLA GAL None
3 2BOS GLA GAL GLC None
4 4IAW LIZ None
5 4NS0 PIO None
6 1Y7P RIP None
7 5B09 4MX None
8 4UTU LRY None
9 4UTW RFW None
10 5N53 8NB None
11 5AVF TAU None
12 5OFW 9TW None
13 3JUC PCA None
14 2P7Q GG6 None
15 1OGX EQU 0.78125
16 4JH6 FCN 2.25564
17 3RGA LSB 2.34375
18 4XAC AKG 2.34375
19 3SK2 GRI 2.34375
20 4ZSI GLP 2.34375
21 4EE7 PIS 3.125
22 2VO4 4NM 3.125
23 5A96 GTP 3.125
24 1Q8Y ADE 3.125
25 5FUI APY 3.125
26 5HCA BGC 3.125
27 3L6C MLI 3.7594
28 4XMF HSM 3.90625
29 6GNO XDI 3.90625
30 1QY1 PRZ 3.90625
31 1GT4 UNA 3.90625
32 3P3N AKG 3.90625
33 5I8T LAC 3.90625
34 3HQ9 OXL 3.90625
35 1SDW IYT 3.90625
36 2XUM OGA 3.90625
37 5EO8 TFU 4.51128
38 3O94 NCA 4.51128
39 1NX4 AKG 4.6875
40 2GJ5 VD3 4.6875
41 2DUR MAN MAN 4.6875
42 4OJ8 AKG 4.6875
43 3GD8 GOL 5.26316
44 3VMG 9CA 5.26316
45 2PA7 TYD 5.26316
46 4YRI 4JH 5.46875
47 4J25 OGA 5.46875
48 2NZ2 ASP 5.46875
49 5O9W AKG 5.46875
50 5K21 6QF 5.46875
51 5TPV TYD 5.46875
52 1O4T OXL 5.46875
53 4L9I 8PR 5.46875
54 5TFZ 7BC 5.46875
55 5BVB DOG 5.46875
56 5JSP DQY 5.46875
57 2GUE NAG 5.7377
58 4FFG LBS 6.25
59 4GN8 ASO 6.25
60 6BU0 IHP 6.25
61 5I0U DCY 6.25
62 4RYV ZEA 6.25
63 2HKA C3S 6.25
64 2DIO EOD 6.25
65 2F2G HMH 6.76692
66 4RLT FSE 6.76692
67 1V7R CIT 7.03125
68 4H6B 10X 7.03125
69 1Z03 OCH 7.03125
70 5VX9 FUC GAL NAG GAL BGC 7.03125
71 4H6B 10Y 7.03125
72 5Y4K AKR 7.5188
73 2JIG PD2 7.8125
74 5N0L ILE 7.8125
75 1ELI PYC 7.8125
76 5HWK BEZ 7.8125
77 2GOO NDG 7.84314
78 1N5S ADL 8.03571
79 5OO5 UUA 8.06452
80 6F6D AKG 8.27068
81 3GM5 CIT 8.59375
82 1OJJ GLC GAL 8.59375
83 3LKF PC 8.59375
84 6FXR AKG 8.59375
85 2G30 ALA ALA PHE 9.375
86 1OIK AKG 9.375
87 1NKI PPF 9.62963
88 3F70 MLZ 9.77444
89 1OPB RET 10.1562
90 1W8S FBP 10.1562
91 5OF1 SAL 10.9375
92 2IUW AKG 10.9375
93 1H2M OGA 11.5385
94 4RF7 ARG 11.7188
95 1A5Z FBP 11.7188
96 3KYQ DPV 11.7188
97 4XCB AKG 12.0301
98 4M1U A2G MBG 12.8571
99 4BXF AKG 13.2812
100 3NNF AKG 14.0625
101 1H2K OGA 14.6341
102 4CCN OGA 14.8438
103 4CCK OGA 14.8438
104 4CCO OGA 14.8438
105 2A1X AKG 14.8438
106 4ZU4 4TG 16.4062
107 4NAO AKG 17.1875
108 2OVW CBI 17.2932
109 2OVD DAO 17.9688
110 4B1M FRU FRU 18.0451
111 5V1B 8UY 20.3125
112 3N9P OGA 21.875
113 3N9Q OGA 21.875
114 5JWP AKG 31.5789
Pocket No.: 2; Query (leader) PDB : 4BX7; Ligand: B4F; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4bx7.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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