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Receptor
PDB id Resolution Class Description Source Keywords
4Z28 1.66 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF SHORT HOEFAVIDIN BIOTIN COMPLEX HOEFLEA PHOTOTROPHICA DFL-43 HIGH AFFINITY SYSTEM BACTERIAL AVIDINS BIOTIN-BINDING PROT
Ref.: HOEFAVIDIN: A DIMERIC BACTERIAL AVIDIN WITH A C-TER BINDING TAIL. J.STRUCT.BIOL. V. 191 139 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTB B:202;
A:202;
Invalid;
Invalid;
none;
none;
submit data
209.24 C8 H19 N O5 C(CO)...
BTN A:201;
B:201;
Valid;
Valid;
none;
none;
submit data
244.311 C10 H16 N2 O3 S C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Z28 1.66 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF SHORT HOEFAVIDIN BIOTIN COMPLEX HOEFLEA PHOTOTROPHICA DFL-43 HIGH AFFINITY SYSTEM BACTERIAL AVIDINS BIOTIN-BINDING PROT
Ref.: HOEFAVIDIN: A DIMERIC BACTERIAL AVIDIN WITH A C-TER BINDING TAIL. J.STRUCT.BIOL. V. 191 139 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 4Z28 - 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 4Z28 - 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 : 4Z28; Ligand: BTN; Similar sites found with APoc: 197
This union binding pocket(no: 1) in the query (biounit: 4z28.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6BU0 IHP None
2 5IXH OTP None
3 4R38 RBF None
4 2YG2 FLC None
5 4NS0 PIO None
6 3GM5 CIT None
7 5KD6 6C7 None
8 1LFO OLA None
9 4MNS 2AX None
10 1U7T TDT None
11 3NUG NAD None
12 4RJD TFP None
13 3VZS CAA None
14 5U9J GER None
15 3VZS NAP None
16 1D6H COA None
17 1VYF OLA None
18 1VLH PNS None
19 4QED NAP None
20 1TQP ATP None
21 3RGA LSB None
22 4EES FMN None
23 2FXD DR7 None
24 2GC0 PAN None
25 2P7Q GG6 None
26 1QIN GIP 1.49254
27 2R5V HHH 1.49254
28 5FQK 6NT 1.49254
29 2BD0 NAP 1.49254
30 3T50 FMN 1.5625
31 3T3C 017 2.0202
32 4NBW NAD 2.23881
33 1ZBQ NAD 2.23881
34 4J8T DOG 2.23881
35 4RYV ZEA 2.23881
36 1A27 NAP 2.23881
37 6CI9 NAP 2.23881
38 2CM4 RCL 2.23881
39 2Z6D FMN 2.30769
40 2BOS GLA GAL GLC 2.94118
41 2BOS GLA GAL 2.94118
42 2GJ5 VD3 2.98507
43 5HV0 AKG 2.98507
44 2YNE YNE 2.98507
45 2YNE NHW 2.98507
46 4CQM NAP 2.98507
47 5GT9 NAP 2.98507
48 4E1Z 0MX 2.98507
49 4FC7 COA 3.73134
50 4FC7 NAP 3.73134
51 3NNF AKG 3.73134
52 5BU3 4W9 3.73134
53 4CCK OGA 3.73134
54 4Y3O OGA 3.73134
55 4CCN OGA 3.73134
56 2JAH NDP 3.73134
57 4CCO OGA 3.73134
58 4H6B 10X 3.73134
59 3P3N AKG 3.73134
60 1I06 TZL 3.73134
61 1VEM GLC GLC 3.73134
62 2EWM NAD 3.73134
63 4AMW 5DI 3.73134
64 4D06 NAR 3.73134
65 5DKK FMN 4.47761
66 4OMJ 2TX 4.47761
67 2JIG PD2 4.47761
68 1OLM VTQ 4.47761
69 3E8N VRA 4.47761
70 3E8N ATP 4.47761
71 3EWK FAD 4.47761
72 1XKQ NDP 4.47761
73 1XHL NDP 4.47761
74 3D3W NAP 4.47761
75 2PWG CTS 4.47761
76 4KTP BGC 4.47761
77 2TPS TPS 4.47761
78 2GQS C2R 4.47761
79 1PR9 NAP 4.47761
80 2PR5 FMN 4.54545
81 5IXG OTP 5.22388
82 1E3W NAD 5.22388
83 2OBF F83 5.22388
84 1ZB6 DIN 5.22388
85 2OBF SAH 5.22388
86 1E6W NAD 5.22388
87 4IAE 1DX 5.22388
88 4WUJ FMN 5.22388
89 4NW6 2NS 5.22388
90 1VA6 ADP 5.22388
91 1VA6 P2S 5.22388
92 2C2A ADP 5.22388
93 1YKD CMP 5.22388
94 2AG5 NAD 5.22388
95 5UIU 8CG 5.22388
96 3QRC SCR 5.22388
97 1H2M OGA 5.76923
98 5ML3 DL3 5.97015
99 2Z77 HE7 5.97015
100 5THQ NDP 5.97015
101 4HIA FMN 5.97015
102 3ML1 MGD 5.97015
103 3SJU NDP 5.97015
104 4M1U A2G MBG 5.97015
105 1OIJ AKG 5.97015
106 4GCZ FMN 5.97015
107 5Y4K AKR 5.97015
108 4ER2 IVA VAL VAL STA ALA STA 5.97015
109 5LXB 7A9 5.97015
110 1QD1 FON 5.97015
111 4XV1 904 5.97015
112 2QL9 CIT 6.18557
113 2WKQ FMN 6.71642
114 4J7U NAP 6.71642
115 4J7U YTZ 6.71642
116 3FW4 CAQ 6.71642
117 3MPI GRA 6.71642
118 4QXB OGA 6.71642
119 3AFN NAP 6.71642
120 5EO8 TFU 6.71642
121 4IE6 UN9 6.71642
122 3G5N PB2 6.71642
123 6F9G PUT 6.71642
124 1KEV NDP 6.71642
125 1H2K OGA 7.31707
126 5SVV FMN 7.46269
127 5O9W AKG 7.46269
128 4P87 4NP 7.46269
129 5A1T OXM 7.46269
130 2ZJF BSU 7.46269
131 4FE2 AIR 7.46269
132 3ANY 2A3 7.46269
133 5C3R AKG 7.46269
134 5C3R HMU 7.46269
135 5GWT SIN 7.46269
136 2WSB NAD 7.46269
137 3D72 FAD 8.20895
138 3IS2 FAD 8.20895
139 3I6I NDP 8.20895
140 2HZQ STR 8.20895
141 4EUU BX7 8.20895
142 5JSP DQY 8.20895
143 1IND EOT 8.20895
144 4B7S QLE 8.20895
145 1R5L VIV 8.20895
146 4XCB AKG 8.20895
147 5FFF NAP 8.20895
148 2Z6C FMN 8.52713
149 1SNY NAP 8.95522
150 1UNB PN1 8.95522
151 1UNB AKG 8.95522
152 3OJF NDP 8.95522
153 1KQW RTL 8.95522
154 2J8C U10 8.95522
155 5LY2 OGA 8.95522
156 6MPT C30 9.70149
157 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 9.70149
158 1I7M PUT 10.4478
159 4J25 OGA 10.4478
160 4B1M FRU FRU 11.194
161 3ORK AGS 11.194
162 3UYK 0CX 11.194
163 4XF6 INS 11.9403
164 4XF6 LIP 11.9403
165 4XF6 ADP 11.9403
166 1PVN MZP 11.9403
167 2J7T 274 12.6866
168 2GOO NDG 13.1579
169 3N9P OGA 13.4328
170 3N9Q OGA 13.4328
171 3N9O OGA 13.4328
172 3PUR 2HG 13.4328
173 4ZOA IFM 13.4328
174 4FFG LBS 14.1791
175 3E85 BSU 14.1791
176 3TKY N7I 14.1791
177 2D0V PQQ 15.2778
178 2C29 NAP 15.6716
179 2XK9 XK9 15.6716
180 2C29 DQH 15.6716
181 5EFW FMN 17.1642
182 5DJT FMN 17.1642
183 2V0U FMN 17.1642
184 3EKK GS2 17.1642
185 4YZ5 SLT 17.9104
186 5DJU FMN 19.6721
187 1OGX EQU 19.8473
188 1V7R CIT 20.1493
189 3AD8 NAD 21.2121
190 3OIG NAD 21.6418
191 5T2U NAP 21.6418
192 4IJP 1EH 21.6418
193 3SLS ANP 21.6418
194 5O98 NAP 26.1194
195 5NUF NAD 26.8657
196 3LF0 ATP 27.193
197 5HA0 LTD 30.597
Pocket No.: 2; Query (leader) PDB : 4Z28; Ligand: BTN; Similar sites found with APoc: 51
This union binding pocket(no: 2) in the query (biounit: 4z28.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5KD6 LBU None
2 1N9L FMN None
3 1KGI T4A None
4 5W10 CMP None
5 4HKP TKW 1.49254
6 2WCV FUC 1.49254
7 6EOZ 58K 2.23881
8 6EOZ AKG 2.23881
9 1NVM OXL 2.23881
10 2VGD XYP XYP 2.98507
11 3LXK MI1 2.98507
12 2CHT TSA 3.14961
13 5EYK 5U5 3.38983
14 1QY1 PRZ 3.73134
15 5JWP AKG 3.73134
16 4H6B 10Y 3.73134
17 2XUM OGA 3.73134
18 4B7E OGA 3.73134
19 4K33 ACP 3.73134
20 5OFW 9TW 3.73134
21 5N53 8NB 3.73134
22 5N87 N66 4.47761
23 4KXL 6C6 4.47761
24 5I0U DCY 4.47761
25 1GQG DCD 4.47761
26 1KPG 16A 4.47761
27 4NBU NAI 5.22388
28 4QDC ASD 5.22388
29 3LXN MI1 5.22388
30 2AE2 NAP 5.97015
31 2AE2 PTO 5.97015
32 4HPH SUC 5.97015
33 2NYA MGD 5.97015
34 5LUN OGA 5.97015
35 1T26 NAI 6.71642
36 1T26 GBD 6.71642
37 1TZD ADP 6.71642
38 3D91 REM 7.46269
39 3B1Q NOS 7.46269
40 2IFW ACE PHE LYS PHE PSA LEU AAR 7.46269
41 5GWT NAD 7.46269
42 1X0P FAD 7.46269
43 6CUZ FEV 8.95522
44 5XVG 8FX 9.70149
45 5TBM 79A 13.913
46 2HKA C3S 14.6154
47 4IY7 KOU 15.6716
48 1GP6 QUE 15.6716
49 3A7R LAQ 16.4179
50 1RM6 PCD 17.9104
51 3PQB VGP 25.3731
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