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Receptor
PDB id Resolution Class Description Source Keywords
6HDT 1.54 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF SHORT AFIFAVIDIN - BIOTIN COMPLEX AFIFELLA PFENNIGII AVIDIN BIOTIN HIGH AFFINITY SYSTEMS DIMERIC AVIDINS BIOTBINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF AFIFAVIDIN REVEALS COMMON FEAT MOLECULAR ASSEMBLAGE IN THE BACTERIAL DIMERIC AVIDI FEBS J. V. 285 4617 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTN D:201;
C:201;
A:201;
B:201;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
244.311 C10 H16 N2 O3 S C1[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6HDT 1.54 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF SHORT AFIFAVIDIN - BIOTIN COMPLEX AFIFELLA PFENNIGII AVIDIN BIOTIN HIGH AFFINITY SYSTEMS DIMERIC AVIDINS BIOTBINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF AFIFAVIDIN REVEALS COMMON FEAT MOLECULAR ASSEMBLAGE IN THE BACTERIAL DIMERIC AVIDI FEBS J. V. 285 4617 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 6HDT - BTN C10 H16 N2 O3 S C1[C@H]2[C....
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 6HDT - BTN C10 H16 N2 O3 S C1[C@H]2[C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 4Z28 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
2 6HDT - 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 : 6HDT; Ligand: BTN; Similar sites found with APoc: 208
This union binding pocket(no: 1) in the query (biounit: 6hdt.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5BU3 4W9 None
2 1Z6Z NAP None
3 4NS0 PIO None
4 2Z77 HE7 None
5 1LFO OLA None
6 2V0U FMN None
7 4L3L 5FI None
8 3D72 FAD None
9 4B1M FRU FRU None
10 3D3W NAP None
11 3LF0 ATP None
12 4B1L FRU None
13 3IS2 FAD None
14 2CM4 RCL None
15 2PR5 FMN None
16 1VLH PNS None
17 5TBM 79A None
18 1X0P FAD None
19 4RYV ZEA None
20 4MA6 28E None
21 2WCV FUC None
22 5N0L ILE None
23 5IQT 6CU None
24 5IQT AKG None
25 1QY1 PRZ 1.50376
26 3E8N ATP 1.50376
27 3E8N VRA 1.50376
28 2JIG PD2 1.50376
29 4NBW NAD 1.50376
30 5HCY 60D 1.50376
31 4IYO 0JO 1.50376
32 5V3D FCN 1.50376
33 2GQS C2R 1.50376
34 1I06 TZL 1.50376
35 4HIA FMN 1.70455
36 4R38 RBF 2.25564
37 5KD6 LBU 2.25564
38 3EWK FAD 2.25564
39 4HPH SUC 2.25564
40 1R5L VIV 2.25564
41 5F5R ANP 2.25564
42 3F5O UOC COA 2.25564
43 3NUG NAD 2.25564
44 6BU0 IHP 2.29008
45 2Z6C FMN 2.32558
46 6MPT C30 3.00752
47 3RGA LSB 3.00752
48 3GE7 AFQ 3.00752
49 4L9I 8PR 3.00752
50 2C29 NAP 3.00752
51 2C29 DQH 3.00752
52 4D06 NAR 3.00752
53 4A34 FUL 3.00752
54 3A7R LAQ 3.00752
55 5TPV TYD 3.00752
56 6GBV FMN 3.00752
57 3RGA ILD 3.00752
58 2HKA C3S 3.07692
59 1KGI T4A 3.14961
60 1N9L FMN 3.66972
61 3C0G 3AM 3.7594
62 3OJF IMJ 3.7594
63 2C2A ADP 3.7594
64 4IAE 1DX 3.7594
65 2AG5 NAD 3.7594
66 3TKY N7I 3.7594
67 1SU2 ATP 3.7594
68 4UX9 ANP 3.7594
69 3T50 FMN 3.90625
70 5W10 CMP 4.10256
71 3Q8G PEE 4.51128
72 1OLM VTQ 4.51128
73 3N9Q OGA 4.51128
74 3N9P OGA 4.51128
75 3N9O OGA 4.51128
76 1UNB AKG 4.51128
77 1UNB PN1 4.51128
78 4CCK OGA 4.51128
79 4Y3O OGA 4.51128
80 2XK9 XK9 4.51128
81 1XHL NDP 4.51128
82 1QIN GIP 4.51128
83 4IJP 1EH 4.51128
84 2R5V HHH 4.51128
85 2GC0 PAN 4.51128
86 2JAH NDP 4.51128
87 2JAP NDP 4.51128
88 1J3R 6PG 4.51128
89 5UIU 8CG 4.51128
90 4CCO OGA 4.51128
91 5LXB 7A9 4.51128
92 1VYF OLA 4.51128
93 4OMJ 2TX 4.51128
94 2BPM 529 4.51128
95 5DKK FMN 4.51128
96 2BYC FMN 4.51128
97 1SB8 NAD 4.51128
98 2IOR ADP 4.51128
99 4H69 10Y 4.51128
100 6F9G PUT 4.51128
101 2Z6D FMN 4.61538
102 5N87 N66 5.26316
103 5IXG OTP 5.26316
104 3GM5 CIT 5.26316
105 1SNY NAP 5.26316
106 5UKL SIX 5.26316
107 5GWT SIN 5.26316
108 1EWF PC1 5.26316
109 1TIW TFB 5.26316
110 1TIW FAD 5.26316
111 1GZ6 NAI 5.26316
112 4O8A FAD 5.26316
113 1VA6 P2S 5.26316
114 1OGX EQU 5.34351
115 4CQM NAP 6.01504
116 4XF6 INS 6.01504
117 4XF6 LIP 6.01504
118 4XF6 ADP 6.01504
119 5SVV FMN 6.01504
120 2OBF F83 6.01504
121 2OBF SAH 6.01504
122 5JSP DQY 6.01504
123 4J25 OGA 6.01504
124 5A1T OXM 6.01504
125 4IE6 UN9 6.01504
126 5A5W GUO 6.01504
127 2REG CHT 6.01504
128 4QDC ASD 6.01504
129 4OTH DRN 6.01504
130 4TW7 37K 6.25
131 5IXH OTP 6.76692
132 3FW4 CAQ 6.76692
133 3KV5 OGA 6.76692
134 2YNE NHW 6.76692
135 2YNE YNE 6.76692
136 4KTP BGC 6.76692
137 5O9W AKG 6.76692
138 5DQ8 FLF 6.76692
139 3DAK ANP 6.76692
140 3NNF AKG 6.76692
141 4M52 FAD 7.5188
142 3SCH TB6 7.5188
143 1NWW HPN 7.5188
144 2RHQ GAX 7.5188
145 1G0N PHH 7.5188
146 1G0N NDP 7.5188
147 2XCM ADP 7.5188
148 2ZJF BSU 7.5188
149 3G08 FEE 8.08081
150 5U98 1KX 8.08081
151 4J36 FAD 8.27068
152 5Y4K AKR 8.27068
153 5UPK ANP 8.33333
154 5HV0 AKG 9.02256
155 4FC7 COA 9.02256
156 4FC7 NAP 9.02256
157 5HA0 LTD 9.02256
158 2HZQ STR 9.02256
159 3KV4 OGA 9.02256
160 5D3X 4IP 9.58084
161 4H6B 10Y 9.77444
162 5THQ NDP 9.77444
163 4H6B 10X 9.77444
164 5ANU 58T 9.77444
165 2ARC ARA 9.77444
166 5WQP NCA 10.5263
167 6EOZ 58K 10.5263
168 3I6I NDP 10.5263
169 6EOZ AKG 10.5263
170 1U7T TDT 10.5263
171 5KO1 6UY 10.5263
172 5I0U DCY 10.5263
173 2GAG NAD 11.1111
174 2GJ5 VD3 11.2782
175 2WSB NAD 11.2782
176 2QL9 CIT 11.3402
177 4CCN OGA 11.4286
178 1XKQ NDP 12.0301
179 4BXF AKG 12.0301
180 1PVN MZP 12.0301
181 4QXB OGA 12.0301
182 5XM3 PQQ 12.0301
183 4YZ5 SLT 12.0301
184 5K2M ADP 12.0301
185 1I7M PUT 12.782
186 4M1U A2G MBG 12.8571
187 1TQP ATP 13.5338
188 3RUV ANP 13.5338
189 3SJU NDP 14.2857
190 4P87 4NP 14.2857
191 4FFG LBS 14.2857
192 3ANY 2A3 15.0376
193 2BOS GLA GAL 16.1765
194 2BOS GLA GAL GLC 16.1765
195 4WUJ FMN 16.5414
196 3AD8 NAD 17.1717
197 4HKP TKW 17.2932
198 1E6W NAD 17.2932
199 3ZV6 NAD 17.2932
200 3ZV6 4HB 17.2932
201 1RM6 PCD 18.0451
202 4IPE ANP 18.0451
203 4IVG ANP 18.0451
204 4EE7 PIS 18.0451
205 2EWM NAD 18.797
206 1V7R CIT 19.5489
207 2D0V PQQ 21.0526
208 3AFN NAP 22.5564
Pocket No.: 2; Query (leader) PDB : 6HDT; Ligand: BTN; Similar sites found with APoc: 49
This union binding pocket(no: 2) in the query (biounit: 6hdt.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3LXN MI1 None
2 2P7Q GG6 None
3 4J8T DOG None
4 5CSD ACD None
5 1GEE NAD 1.50376
6 1QD1 FON 1.50376
7 3H9A PPY 1.50376
8 1OS7 AKG 2.25564
9 2CFC NAD 2.25564
10 5NUE NAD 3.00752
11 2QTZ NAP 3.00752
12 2GOO NDG 3.50877
13 3OJF NDP 3.7594
14 4GCZ FMN 3.7594
15 5O98 NAP 4.51128
16 4MNS 2AX 4.51128
17 2DKN NAI 4.51128
18 3WIR BGC 5.26316
19 4QTB 38Z 5.26316
20 4NMC FAD 5.26316
21 1VA6 ADP 5.26316
22 5GWT NAD 5.26316
23 2RH4 EMO 6.01504
24 2Y0I AKG 6.01504
25 3FQ8 PMP 6.01504
26 1ORR NAD 6.01504
27 2E56 MYR 6.76692
28 5TFZ 7BC 7.33333
29 4P8K FAD 7.5188
30 2FLI DX5 7.5188
31 3P7N FMN 8.27068
32 1KOL NAD 8.27068
33 3PQB VGP 8.27068
34 2FXD DR7 9.09091
35 3ZGJ RMN 9.77444
36 1U7T NAD 10.5263
37 5WQP NAP 10.5263
38 3OIG NAD 10.5263
39 2YI0 YI0 11.2782
40 3OTI C0T 12.0301
41 1LDN OXM 12.0301
42 1XG5 NAP 12.0301
43 1IY8 NAD 12.782
44 3DZ6 PUT 12.782
45 1OIJ AKG 14.2857
46 1GT4 UNA 15.0376
47 3OVR 5SP 16.5414
48 1E3W NAD 17.2932
49 2ZRU FMN 18.0451
Pocket No.: 3; Query (leader) PDB : 6HDT; Ligand: BTN; Similar sites found with APoc: 38
This union binding pocket(no: 3) in the query (biounit: 6hdt.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4J7U NAP None
2 4J7U YTZ None
3 5DJU FMN None
4 1KPH 10A None
5 4C2V YJA None
6 4RFR RHN 1.50376
7 5KD6 6C7 2.25564
8 1J0D 5PA 2.25564
9 5NUF NAD 3.00752
10 2NYA MGD 3.00752
11 2GU8 796 3.7594
12 3MTX PGT 3.7594
13 6C0T EE4 4.51128
14 4CYI ATP 4.51128
15 5JZJ AN2 4.51128
16 6GG9 FMN 4.93827
17 5JWP AKG 6.01504
18 1H2K OGA 6.01504
19 2XUM OGA 6.01504
20 3P3N AKG 6.01504
21 5WHU SIA GAL GLC 6.01504
22 2FCU AKG 7.5188
23 6FXR AKG 7.5188
24 5Y1G AKB 8.27068
25 3PFG SAM 9.02256
26 3PFG TLO 9.02256
27 1EDO NAP 9.02256
28 3G5N PB2 9.02256
29 4XCB HY0 9.02256
30 3T3C 017 9.09091
31 2NP9 YE1 9.77444
32 4RQL SNE 9.77444
33 3LPF Z77 10.5263
34 3PE2 E1B 11.2782
35 3WSJ MK1 12.069
36 2PVN P63 14.2857
37 5G61 FNY 14.2857
38 5UXM PEP 17.2932
Pocket No.: 4; Query (leader) PDB : 6HDT; Ligand: BTN; Similar sites found with APoc: 19
This union binding pocket(no: 4) in the query (biounit: 6hdt.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3E85 BSU None
2 3AY6 NAI 1.50376
3 3AY6 BGC 1.50376
4 2ET1 GLV 4.51128
5 1VEM GLC GLC 4.51128
6 1KQW RTL 5.26316
7 3C3N FMN 5.26316
8 5XVG 8FX 6.01504
9 1ZB6 DIN 6.01504
10 1ZB6 GST 6.01504
11 1YKD CMP 6.76692
12 2OO0 XAP 7.5188
13 4K33 ACP 9.02256
14 5OJI ISN 9.02256
15 2J8C U10 9.02256
16 2JLD AG1 12.782
17 3PUA OGA 12.782
18 5LY2 OGA 12.782
19 5BVB DOG 12.8788
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