Receptor
PDB id Resolution Class Description Source Keywords
1WUB 1.65 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE POLYISOPRENOID-BINDING PROTEIN, TT1927B, FROM THERMUS THERMOPHILUS HB8 THERMUS THERMOPHILUS BETA-BARREL STRUCTURAL GENOMICS RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI LIPID BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF A NOVEL POLYISOPRENOID-BINDING PROTEIN FROM THERMUS THERMOPHILUS HB8 PROTEIN SCI. V. 14 1004 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OTP A:1001;
Valid;
none;
submit data
722.911 C40 H68 O7 P2 CC(=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WUB 1.65 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE POLYISOPRENOID-BINDING PROTEIN, TT1927B, FROM THERMUS THERMOPHILUS HB8 THERMUS THERMOPHILUS BETA-BARREL STRUCTURAL GENOMICS RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI LIPID BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF A NOVEL POLYISOPRENOID-BINDING PROTEIN FROM THERMUS THERMOPHILUS HB8 PROTEIN SCI. V. 14 1004 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1WUB - 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 355 families.
1 1WUB - 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 272 families.
1 1WUB - 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 : 1WUB; Ligand: OTP; Similar sites found: 170
This union binding pocket(no: 1) in the query (biounit: 1wub.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DZK PRZ 0.000473 0.49224 None
2 4JH6 FCN 0.005543 0.45715 None
3 1LFO OLA 0.004605 0.4365 None
4 5FU3 BGC BGC BGC 0.01745 0.43537 None
5 1N5S ADL 0.0101 0.4272 None
6 4V3I ASP LEU THR ARG PRO 0.02807 0.42684 None
7 3JZ0 CLY 0.02878 0.41901 None
8 3A6T 8OG 0.018 0.41487 None
9 5EFW FMN 0.01639 0.41052 None
10 3QUG GIX 0.04849 0.40633 None
11 5AIG VPR 0.04398 0.40509 None
12 1WAP TRP 0.03303 0.40493 None
13 3N0Y APC 0.01281 0.40414 None
14 5DJU FMN 0.02252 0.40115 None
15 2Z77 HE7 0.02255 0.40113 None
16 2C1P FNZ 0.02364 0.41939 1.1236
17 1GT4 UNA 0.009371 0.4288 1.25786
18 5SVV FMN 0.009518 0.41849 1.45985
19 2DIO EOD 0.006445 0.44063 1.68539
20 3GD9 GLC BGC BGC BGC 0.02823 0.41175 1.68539
21 5BQS 4VN 0.03088 0.4003 1.68539
22 2ARC ARA 0.03168 0.41641 1.82927
23 5TH5 MET 0.04114 0.41584 1.90114
24 3QRC SCR 0.00669 0.44072 1.91083
25 3A16 PXO 0.009059 0.45253 2.24719
26 4FFG 0U8 0.008739 0.45129 2.24719
27 2R5V HHH 0.0271 0.41267 2.24719
28 4K55 H6P 0.0001038 0.56189 2.41935
29 3BRN SRO 0.04213 0.41448 2.54777
30 4EES FMN 0.02221 0.40144 2.6087
31 2G30 ALA ALA PHE 0.0001206 0.55231 2.80899
32 3JQ3 ADP 0.00676 0.44795 2.80899
33 5J3Z 6FQ 0.02101 0.43266 2.80899
34 5MOB A8S 0.03014 0.41381 2.80899
35 4ORR PE3 0.005957 0.41314 2.80899
36 5MRH Q9Z 0.04514 0.40803 2.80899
37 1EYE PMM 0.03378 0.40771 2.80899
38 3K3K A8S 0.01822 0.40543 2.80899
39 4IMO PWZ 0.0256 0.42229 2.84091
40 2ET1 GLV 0.01042 0.44776 2.98507
41 2AGC DAO 0.00829 0.44778 3.08642
42 2AGC MYR 0.01102 0.44229 3.08642
43 2OVD DAO 0.005619 0.46342 3.37079
44 1RYD GLC 0.03413 0.42055 3.37079
45 5HCN DAO 0.03284 0.41953 3.37079
46 4KBA 1QM 0.02801 0.4193 3.37079
47 4AZT LY2 0.02655 0.41673 3.37079
48 3SJK LYS PRO VAL LEU ARG THR ALA 0.03934 0.41575 3.37079
49 2OVW CBI 0.04189 0.41363 3.37079
50 2VDF OCT 0.01167 0.4103 3.37079
51 1XNK XS2 0.04167 0.40298 3.37079
52 1Y7P RIP 0.0374 0.40666 3.58744
53 1KQW RTL 0.01061 0.42272 3.73134
54 2YKL NLD 0.002354 0.46706 3.93258
55 1U6R ADP 0.002797 0.4505 3.93258
56 3T4L ZEA 0.00304 0.44877 3.93258
57 1ZNY GDP 0.01402 0.43999 3.93258
58 5L9V OGA 0.01035 0.43826 3.93258
59 3P7N FMN 0.004987 0.43487 3.93258
60 2OMN IPH 0.01089 0.43056 3.93258
61 1I82 BGC BGC 0.0319 0.42198 3.93258
62 4KYS VIB 0.04372 0.41259 3.93258
63 3DG6 MUC 0.0307 0.40655 3.93258
64 1EU1 GLC 0.0206 0.40613 3.93258
65 4QA8 PJZ 0.01314 0.40367 3.93258
66 2YG2 FLC 0.003023 0.42556 4.06977
67 2YG2 S1P 0.01123 0.40937 4.06977
68 4L4J NAG NAG BMA MAN NAG 0.002041 0.48937 4.49438
69 4OCT AKG 0.01938 0.42395 4.49438
70 4MJ0 SIA SIA GAL 0.02877 0.42315 4.49438
71 3WDX BGC BGC GLC 0.007584 0.42305 4.49438
72 4C6H HE2 0.03707 0.41659 4.49438
73 1MH5 HAL 0.006294 0.41484 4.49438
74 2GWH PCI 0.04921 0.40249 4.49438
75 1N9L FMN 0.005958 0.43124 4.58716
76 2HKA C3S 0.0114 0.41796 4.61538
77 3B6R ADP 0.002178 0.45983 5.05618
78 3U6W KIV 0.02368 0.42743 5.05618
79 3RGA LSB 0.01054 0.4263 5.05618
80 2WA4 069 0.02009 0.41938 5.05618
81 1ERB ETR 0.003751 0.41885 5.05618
82 1OJJ GLC GAL 0.03088 0.417 5.05618
83 5D6T NGA 0.01078 0.40988 5.05618
84 2Y0I AKG 0.04934 0.40939 5.05618
85 4LED XXR 0.02838 0.40914 5.05618
86 2GQS ADP 0.02792 0.40544 5.05618
87 1IIU RTL 0.01512 0.40633 5.17241
88 2ZMF CMP 0.01924 0.40723 5.29101
89 2Z6C FMN 0.01592 0.41112 5.42636
90 4H6B 10Y 0.001114 0.48886 5.61798
91 4H6B 10X 0.001745 0.47369 5.61798
92 3I4X DST 0.0207 0.42641 5.61798
93 3O2K DST 0.03504 0.41796 5.61798
94 4IP7 FLC 0.03531 0.41777 5.61798
95 3B00 16A 0.03431 0.41083 5.61798
96 2WKQ FMN 0.01768 0.40896 5.61798
97 4RF7 ARG 0.01306 0.40644 5.61798
98 1QKQ MAN 0.001134 0.46686 5.6338
99 4JHG ZEA 0.02237 0.41021 5.95238
100 3I7V ATP 0.03637 0.40569 5.97015
101 2PR5 FMN 0.01799 0.4086 6.06061
102 4BG4 ADP 0.004772 0.43938 6.17978
103 2FCU AKG 0.0496 0.41103 6.17978
104 3TL1 JRO 0.01078 0.44628 6.28931
105 5FS0 5JC 0.04916 0.406 6.63507
106 4B1L FRU 0.02972 0.42086 6.66667
107 1QD1 FON 0.002688 0.43068 6.74157
108 1SQI 869 0.01031 0.42677 6.74157
109 3G58 988 0.04798 0.40307 6.74157
110 4DOO DAO 0.02718 0.40299 6.74157
111 3KFF XBT 0.01011 0.44781 6.79012
112 3KFF ZBT 0.01011 0.44781 6.79012
113 4R38 RBF 0.002527 0.44506 7.14286
114 5L9B AKG 0.008271 0.44336 7.30337
115 4J25 OGA 0.02111 0.4306 7.30337
116 3HQR OGA 0.02423 0.41518 7.30337
117 5HSS 64Z 0.04572 0.40772 7.30337
118 4BQY FNT 0.01812 0.40554 7.30337
119 2BOS GLA GAL GLC 0.00258 0.43815 7.35294
120 2BOS GLA GAL 0.002319 0.43719 7.35294
121 4ZYB 4SQ 0.04978 0.40943 7.46269
122 2XG5 EC2 0.03186 0.41743 7.51445
123 2XG5 EC5 0.03186 0.41743 7.51445
124 5C5T AKG 0.01699 0.43104 7.86517
125 4IAW LIZ 0.01494 0.42989 7.86517
126 1AD4 HH2 0.02002 0.41593 7.86517
127 5NBW 8SK 0.009828 0.43533 8.10811
128 3HP9 CF1 0.03452 0.41982 8.42697
129 2DW7 SRT 0.03864 0.40809 8.42697
130 2GC0 PAN 0.02393 0.40567 8.42697
131 2HZQ STR 0.004823 0.46678 8.62069
132 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.005738 0.43201 8.84956
133 3QVI K95 0.04325 0.40213 8.98876
134 1ZB6 DIN 0.009079 0.40053 8.98876
135 1SN0 T44 0.03991 0.40396 9.23077
136 2CM4 RCL 0.000967 0.46039 9.33333
137 5TFZ 7BC 0.01848 0.42906 9.33333
138 3ZGJ RMN 0.00543 0.46265 9.55056
139 3AVR OGA 0.008498 0.45388 9.55056
140 2QLU ADE 0.02785 0.41697 9.55056
141 4XBT FLC 0.01763 0.41208 10.1124
142 4XBT 3ZQ 0.019 0.41052 10.1124
143 2A1L PCW 0.0007462 0.40869 10.1124
144 2BYC FMN 0.02552 0.41061 10.219
145 1OGZ EQU 0.01676 0.42342 10.4
146 4GCZ FMN 0.008512 0.42395 10.6742
147 4KCT PYR 0.03112 0.41683 10.6742
148 4MA6 28E 0.005566 0.46206 10.828
149 5C3R AKG 0.001896 0.45859 11.236
150 5C3R HMU 0.001896 0.45859 11.236
151 4H69 10Y 0.01865 0.42483 11.236
152 1EX7 5GP 0.0385 0.41568 11.236
153 1NVM OXL 0.03313 0.40914 11.236
154 2VFT SOR 0.01262 0.43373 11.7978
155 3H0L ADP 0.03909 0.41144 11.7978
156 1C9K 5GP 0.04067 0.4069 11.7978
157 3T50 FMN 0.004374 0.43755 12.3596
158 3ZJX BOG 0.03558 0.41984 12.3596
159 1OW4 2AN 0.03297 0.40826 12.4031
160 4MUV PCG 0.03594 0.40307 12.6761
161 3PGU OLA 0.003855 0.4607 12.9213
162 2Z5Y HRM 0.03921 0.41137 13.4831
163 1OGX EQU 0.004216 0.44985 13.7405
164 1ODM ASV 0.001194 0.44577 14.0449
165 4QDF 30Q 0.02865 0.40489 14.6067
166 4XT2 43L 0.007155 0.41809 15.7025
167 2AXR ABL 0.02058 0.42777 18.5393
168 1OPB RET 0.01287 0.42204 27.6119
169 5IXH OTP 0.00000000114 0.60642 36.646
170 5IXG OTP 0.000000000005413 0.69063 49.7041
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