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 473 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 355 families.
1 4Z28 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
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 4Z28 - 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 BTN 1 1
2 BTQ 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 41M 0.554054 0.830189
11 BNI 0.554054 0.656716
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: 98
This union binding pocket(no: 1) in the query (biounit: 4z28.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IXH OTP 0.005229 0.45379 None
2 4R38 RBF 0.001975 0.4479 None
3 2YG2 FLC 0.00403 0.44137 None
4 4MNS 2AX 0.02793 0.41969 None
5 3NUG NAD 0.02302 0.40991 None
6 5U9J GER 0.01081 0.40856 None
7 1VYF OLA 0.01849 0.40548 None
8 1VLH PNS 0.01378 0.40512 None
9 1TQP ATP 0.02026 0.40352 None
10 3RGA LSB 0.01237 0.40352 None
11 4EES FMN 0.01645 0.40316 None
12 2FXD DR7 0.029 0.40242 None
13 4QED NAP 0.03152 0.40176 None
14 5HCY 60D 0.03162 0.41271 1.49254
15 2R5V HHH 0.006542 0.41227 1.49254
16 3T3C 017 0.02547 0.40404 2.0202
17 4NBW NAD 0.01293 0.41891 2.23881
18 2CM4 RCL 0.02043 0.40021 2.23881
19 2Z6D FMN 0.01263 0.40697 2.30769
20 2GJ5 VD3 0.002443 0.46564 2.98507
21 5HV0 AKG 0.002118 0.43779 2.98507
22 2YNE YNE 0.03918 0.42802 2.98507
23 2YNE NHW 0.03918 0.42802 2.98507
24 5GT9 NAP 0.02974 0.40421 2.98507
25 4E1Z 0MX 0.02177 0.40044 2.98507
26 1QY1 PRZ 0.001377 0.45746 3.73134
27 4FC7 COA 0.01019 0.43952 3.73134
28 4FC7 NAP 0.01019 0.43952 3.73134
29 5BU3 4W9 0.004037 0.43469 3.73134
30 2JAH NDP 0.01838 0.41492 3.73134
31 4H6B 10X 0.006249 0.41321 3.73134
32 1VEM GLC GLC 0.02565 0.40634 3.73134
33 5DKK FMN 0.001331 0.45416 4.47761
34 4OMJ 2TX 0.003817 0.45089 4.47761
35 2JIG PD2 0.00118 0.43689 4.47761
36 1OLM VTQ 0.005396 0.43655 4.47761
37 3E8N ATP 0.02024 0.42383 4.47761
38 3E8N VRA 0.02024 0.42383 4.47761
39 3EWK FAD 0.006274 0.42166 4.47761
40 2GQS C2R 0.004773 0.42107 4.47761
41 1XKQ NDP 0.01656 0.41953 4.47761
42 2PWG CTS 0.01074 0.41037 4.47761
43 2TPS TPS 0.02209 0.40451 4.47761
44 5IXG OTP 0.004017 0.46263 5.22388
45 2OBF F83 0.01736 0.42735 5.22388
46 2OBF SAH 0.01736 0.42735 5.22388
47 1ZB6 DIN 0.008965 0.42691 5.22388
48 4IAE 1DX 0.01365 0.42268 5.22388
49 4WUJ FMN 0.007629 0.41756 5.22388
50 3PE2 E1B 0.03437 0.41247 5.22388
51 2AG5 NAD 0.02717 0.40506 5.22388
52 5UIU 8CG 0.02716 0.40387 5.22388
53 5ML3 DL3 0.004267 0.45316 5.97015
54 3ML1 MGD 0.04341 0.42249 5.97015
55 4GCZ FMN 0.008978 0.41414 5.97015
56 4ER2 IVA VAL VAL STA ALA STA 0.03143 0.41016 5.97015
57 1QD1 FON 0.02065 0.40457 5.97015
58 4XV1 904 0.03667 0.40063 5.97015
59 2WKQ FMN 0.00139 0.45324 6.71642
60 3FW4 CAQ 0.004593 0.437 6.71642
61 3AFN NAP 0.03096 0.40552 6.71642
62 2ZJF BSU 0.005573 0.41309 7.46269
63 5SVV FMN 0.01147 0.4108 7.46269
64 4FE2 AIR 0.006894 0.40877 7.46269
65 5BYZ 4WE 0.004902 0.4428 8.20895
66 3IS2 FAD 0.01104 0.42236 8.20895
67 3I6I NDP 0.01866 0.42202 8.20895
68 4B7S QLE 0.01854 0.41102 8.20895
69 3D72 FAD 0.02306 0.4087 8.20895
70 1R5L VIV 0.02112 0.40408 8.20895
71 3OJF NDP 0.02205 0.41526 8.95522
72 1KQW RTL 0.01273 0.40492 8.95522
73 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 0.01615 0.42226 9.70149
74 2X4Z X4Z 0.01557 0.42091 9.70149
75 4DE9 VTP 0.02228 0.40946 9.70149
76 1I7M PUT 0.006646 0.42681 10.4478
77 5U98 1KX 0.03588 0.40804 11.1111
78 3ORK AGS 0.01449 0.41224 11.194
79 3UYK 0CX 0.03018 0.40817 11.194
80 4XF6 LIP 0.01807 0.41973 11.9403
81 4XF6 ADP 0.01807 0.41973 11.9403
82 4XF6 INS 0.01807 0.41973 11.9403
83 3PUR 2HG 0.009848 0.41135 13.4328
84 3E85 BSU 0.03739 0.40619 14.1791
85 3TKY N7I 0.008072 0.40052 14.1791
86 2C29 NAP 0.02669 0.41832 15.6716
87 2C29 DQH 0.02817 0.41707 15.6716
88 5EFW FMN 0.001228 0.45583 17.1642
89 5DJT FMN 0.001313 0.45444 17.1642
90 2V0U FMN 0.001692 0.40159 17.1642
91 4GJY OGA 0.0005282 0.42194 17.9104
92 5DJU FMN 0.001341 0.40163 19.6721
93 1OGX EQU 0.006889 0.41351 19.8473
94 3AD8 NAD 0.02996 0.40731 21.2121
95 4IJP 1EH 0.01178 0.41023 21.6418
96 3SLS ANP 0.0185 0.40234 21.6418
97 3LF0 ATP 0.01283 0.41178 27.193
98 5HA0 LTD 0.01922 0.40754 30.597
Pocket No.: 2; Query (leader) PDB : 4Z28; Ligand: BTN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4z28.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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