Receptor
PDB id Resolution Class Description Source Keywords
5IXG 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA BCNB BURKHOLDERIA CENOCEPACIA PC184 BETA BARREL LIPOCALIN UNKNOWN FUNCTION
Ref.: ANTIBIOTIC CAPTURE BY BACTERIAL LIPOCALINS UNCOVERS EXTRACELLULAR MECHANISM OF INTRINSIC ANTIBIOTIC RES MBIO V. 8 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG B:202;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
OTP C:201;
A:201;
D:201;
B:201;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
722.911 C40 H68 O7 P2 CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IXG 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA BCNB BURKHOLDERIA CENOCEPACIA PC184 BETA BARREL LIPOCALIN UNKNOWN FUNCTION
Ref.: ANTIBIOTIC CAPTURE BY BACTERIAL LIPOCALINS UNCOVERS EXTRACELLULAR MECHANISM OF INTRINSIC ANTIBIOTIC RES MBIO V. 8 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5IXG - OTP C40 H68 O7 P2 CC(=CCC/C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5IXG - OTP C40 H68 O7 P2 CC(=CCC/C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5IXG - OTP C40 H68 O7 P2 CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OTP; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 OTP 1 1
2 ZTP 1 1
3 GRG 1 0.975
4 FPP 1 0.975
5 VTP 1 1
6 GPP 0.911111 0.95
7 DSL 0.744681 0.925
8 0K3 0.744681 0.925
9 FJP 0.744681 0.9
10 FDF 0.727273 0.883721
11 FFF 0.714286 0.906977
12 FGG 0.590164 0.906977
13 FPF 0.57377 0.906977
14 2CF 0.57377 0.906977
15 10E 0.568627 0.6875
16 10D 0.568627 0.767442
17 MGM 0.5625 0.75
18 DMA 0.5625 0.825
19 A4S 0.558824 0.685185
20 3E9 0.555556 0.928571
21 FPS 0.551724 0.860465
22 GGS 0.551724 0.860465
23 H6P 0.54902 0.767442
24 FPQ 0.539683 0.808511
25 10G 0.538462 0.75
26 FII 0.507937 0.655172
27 GST 0.482759 0.837209
28 PS7 0.48 0.886364
29 FHP 0.473684 0.744186
30 1NH 0.457831 0.755102
31 0FV 0.442623 0.883721
32 LA6 0.442623 0.883721
33 749 0.428571 0.875
34 SZH 0.428571 0.644068
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IXG; Ligand: OTP; Similar sites found: 112
This union binding pocket(no: 1) in the query (biounit: 5ixg.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X32 OTP 0.0000003694 0.51152 None
2 2X34 UQ8 0.000000497 0.50739 None
3 2ZHL NAG GAL GAL NAG 0.00128 0.48363 None
4 3EW2 BTN 0.005325 0.45618 None
5 1N5S ADL 0.01105 0.42798 None
6 3T50 FMN 0.02165 0.40736 None
7 4WUJ FMN 0.02302 0.40609 None
8 4Y8D 49J 0.02769 0.40512 None
9 1MAI I3P 0.03656 0.40305 None
10 1GZF NIR 0.03426 0.421 1.18343
11 4U0W 16G 0.03074 0.4029 1.18343
12 3OYW TDG 0.02447 0.42917 1.49254
13 3W9R A8S 0.03493 0.40945 1.77515
14 1DZK PRZ 0.000887 0.48202 1.91083
15 4Y24 TD2 0.01456 0.43313 1.94805
16 1W6P NDG GAL 0.009467 0.45721 2.23881
17 1H8S AIC 0.0008867 0.50284 2.36686
18 4NFN 2KC 0.004153 0.44897 2.36686
19 5MX4 HPA 0.04205 0.41464 2.36686
20 1J3R 6PG 0.03391 0.41359 2.36686
21 2Z5Y HRM 0.04545 0.41031 2.36686
22 2GC0 PAN 0.0328 0.40152 2.36686
23 1N9L FMN 0.01823 0.41093 2.75229
24 4EMV 0R9 0.00512 0.43716 2.95858
25 3SXS PP2 0.005739 0.43144 2.95858
26 4CNO 9PY 0.02909 0.42434 2.95858
27 3PUR 2HG 0.04486 0.41556 2.95858
28 1PS6 4TP 0.03262 0.4145 2.95858
29 2B3B GLC 0.04217 0.4121 2.95858
30 3B00 16A 0.03999 0.40976 2.95858
31 4B1L FRU 0.004455 0.46224 3.0303
32 1EPB REA 0.00325 0.45423 3.04878
33 2HRL SIA GAL SIA BGC NGA CEQ 0.03396 0.41726 3.14961
34 1SDW IYT 0.01671 0.42611 3.5503
35 5VCV 1N1 0.005218 0.42402 3.5503
36 3B6R ADP 0.01843 0.41696 3.5503
37 4ZSI GLP 0.02315 0.41203 3.5503
38 4HY1 19X 0.04436 0.41089 3.5503
39 4ZSI 4R1 0.03319 0.40422 3.5503
40 1XPM CAA 0.01183 0.40083 3.5503
41 5T7I LAT NAG GAL 0.007562 0.45884 3.87097
42 4XLI 1N1 0.001221 0.47518 4.14201
43 4IMO PWZ 0.02479 0.42791 4.14201
44 4JGP PYR 0.02862 0.42694 4.14201
45 1OJJ GLC GAL 0.04679 0.40961 4.14201
46 3PGU OLA 0.04943 0.40481 4.14201
47 4NG2 OHN 0.01253 0.40466 4.14201
48 3B1Q NOS 0.02906 0.40124 4.14201
49 5DG2 GAL GLC 0.004243 0.43891 4.44444
50 1OGX EQU 0.034 0.40679 4.58015
51 5C3R AKG 0.01816 0.41407 4.73373
52 5C3R HMU 0.01816 0.41407 4.73373
53 4BQY FNT 0.01992 0.40622 4.73373
54 3P7N FMN 0.02475 0.40458 4.73373
55 1QKQ MAN 0.0003125 0.52113 4.92958
56 1GT4 UNA 0.02272 0.41244 5.03145
57 4JH6 FCN 0.03475 0.41671 5.07246
58 5H9Q TD2 0.001689 0.4907 5.16129
59 4Z28 BTN 0.004017 0.46263 5.22388
60 5H2U 1N1 0.005413 0.4433 5.32544
61 5AEW BNL 0.009892 0.442 5.32544
62 2Y6O 1N1 0.005827 0.42792 5.32544
63 2ZMF CMP 0.01677 0.41267 5.32544
64 2QLU ADE 0.04194 0.40907 5.32544
65 4E1O PLP PVH 0.02049 0.40028 5.32544
66 4RLT FSE 0.0446 0.40388 5.6962
67 1BHX ASP PHE GLU GLU ILE 0.0431 0.40801 5.71429
68 5E89 TD2 0.008255 0.43424 5.7554
69 4WOE ADP 0.00183 0.49465 5.91716
70 1QY1 PRZ 0.001782 0.45139 5.91716
71 4H6B 10Y 0.01264 0.43637 5.91716
72 4H6B 10X 0.0237 0.42579 5.91716
73 2WKQ FMN 0.01369 0.41686 5.91716
74 5JSP DQY 0.04268 0.41542 5.91716
75 2Z6C FMN 0.01117 0.42107 6.20155
76 3FW9 SLX 0.03011 0.4005 6.50888
77 4EES FMN 0.01296 0.41495 6.95652
78 1WBI BTN 0.03451 0.40646 6.97674
79 4D4U FUC NDG GAL FUC 0.03664 0.41793 7.10059
80 1OIJ AKG 0.02788 0.41477 7.10059
81 3KC1 2T6 0.02617 0.40343 7.10059
82 4ZXA H8N 0.04465 0.41073 7.14286
83 2Z77 HE7 0.002815 0.43581 7.19424
84 4YVN EBS 0.004404 0.47253 7.69231
85 2E27 AB0 0.04127 0.40565 7.93651
86 1U0A BGC BGC BGC BGC 0.003429 0.45308 8.28402
87 1OF4 BMA BMA BMA BMA BMA 0.02329 0.43109 8.28402
88 4BG4 ADP 0.01061 0.4254 8.28402
89 3RGA LSB 0.02443 0.41086 8.28402
90 2PR5 FMN 0.01782 0.4114 8.33333
91 3C0G 3AM 0.03419 0.40993 8.87574
92 1Y2F WAI 0.01909 0.43691 9.35252
93 3URB DPF 0.01011 0.45217 9.46746
94 3HQR OGA 0.02594 0.41619 9.46746
95 4GGZ BTN 0.004415 0.45595 9.56522
96 1OPB RET 0.02631 0.40621 9.70149
97 2H8H H8H 0.007364 0.43309 10.0592
98 1SGJ OAA 0.03517 0.41231 10.0592
99 1I7M PUT 0.03243 0.40942 10.4478
100 5F7Y GLC GAL NAG GAL FUC A2G 0.03502 0.40939 10.6509
101 4B9K TG0 0.04023 0.41707 11.3402
102 4W9F 3JU 0.0479 0.4128 11.3402
103 4W9H 3JF 0.045 0.41055 11.3402
104 1SN0 T44 0.0145 0.42931 11.5385
105 3ZJX BOG 0.0286 0.43154 12.426
106 2YMZ LAT 0.002862 0.46795 14.6154
107 5L6G XYP 0.04604 0.40882 14.7929
108 3VRY B43 0.004556 0.4237 20.1183
109 4CSV STI 0.007983 0.41872 21.8935
110 4GCZ FMN 0.01065 0.42205 22.4852
111 4JNJ BTN 0.01814 0.42069 29.5652
112 1WUB OTP 0.000000000005413 0.69063 49.7041
Pocket No.: 2; Query (leader) PDB : 5IXG; Ligand: OTP; 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: 5ixg.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5IXG; Ligand: OTP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5ixg.bio2) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5IXG; Ligand: OTP; Similar sites found: 50
This union binding pocket(no: 4) in the query (biounit: 5ixg.bio2) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2JIG PD2 0.01048 0.44502 None
2 2F99 AKV 0.02347 0.40864 None
3 4BJ8 BTN 0.02839 0.40761 None
4 3WV6 GAL BGC 0.0004984 0.50771 1.77515
5 3ML5 AZM 0.04067 0.41734 1.77515
6 3WV6 GAL GLC 0.01785 0.41394 1.77515
7 5FS0 5JC 0.02495 0.42457 2.95858
8 3K3K A8S 0.01925 0.40691 2.95858
9 4PAB THG 0.03901 0.4007 2.95858
10 4MPO AMP 0.04657 0.40639 3.26797
11 2PNC CLU 0.008208 0.45745 3.5503
12 3JU6 ANP 0.04776 0.41287 3.5503
13 3T1A 5MA 0.02016 0.40884 3.5503
14 2D6M LBT 0.02895 0.4188 3.77358
15 5OO5 UUA 0.03968 0.40033 4.03226
16 5C5T AKG 0.01507 0.43647 4.14201
17 2OO8 RAJ 0.008078 0.42144 4.14201
18 4L9I 8PR 0.03199 0.40502 4.14201
19 5LJB RTL 0.02175 0.40442 4.44444
20 1ZM1 BGC BGC BGC 0.0234 0.4118 4.73373
21 1QD1 FON 0.01581 0.40026 4.73373
22 4O9S 2RY 0.01815 0.40011 4.73373
23 3NX2 FER 0.03477 0.41766 4.7619
24 4XBT 3ZQ 0.008703 0.44076 5.16129
25 4XBT FLC 0.02965 0.40367 5.16129
26 1A78 TDG 0.008839 0.45629 5.22388
27 3GC8 B45 0.01027 0.41668 5.32544
28 4BPZ GLC BGC BGC 0.0389 0.41402 5.32544
29 4X5S AZM 0.04331 0.41259 5.32544
30 4QXB OGA 0.02449 0.42501 5.88235
31 1FUI FOC 0.01555 0.44141 5.91716
32 2D3M COA 0.005378 0.42951 7.10059
33 4D4U FUC GAL NDG FUC 0.02958 0.41676 7.10059
34 3T4L ZEA 0.02449 0.40773 7.10059
35 5AIG VPR 0.03853 0.41062 7.2
36 4ZU4 4TG 0.02837 0.40762 7.43243
37 3JQ3 ADP 0.02329 0.42229 7.69231
38 3V8S 0HD 0.02832 0.40767 7.69231
39 3I7V ATP 0.02631 0.42556 8.95522
40 4CQE CQE 0.0212 0.40223 10.6509
41 3A16 PXO 0.01265 0.42633 11.2426
42 4BKS X6C 0.03005 0.42482 11.3402
43 4OCT AKG 0.01701 0.42954 11.8343
44 5FUI APY 0.03549 0.43583 13.6364
45 1OW4 2AN 0.03391 0.41012 14.7287
46 2OVW CBI 0.03647 0.41556 14.7929
47 4LA7 A1O 0.007718 0.41378 16.568
48 1H4H XYP XYS XYP 0.004191 0.44878 17.7515
49 2XG5 EC2 0.02589 0.4281 27.2189
50 2XG5 EC5 0.02589 0.4281 27.2189
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