Receptor
PDB id Resolution Class Description Source Keywords
2FFC 1.7 Å EC: 4.1.3.23 CRYSTAL STRUCTURE OF PLASMODIUM VIVAX OROTIDINE-MONOPHOSPHAT DECARBOXYL UMP BOUND PLASMODIUM VIVAX DECARBOXYLASE PV-PF10_0225 SGC STRUCTURAL GENOMICS STRUCGENOMICS CONSORTIUM LYASE
Ref.: GENOME-SCALE PROTEIN EXPRESSION AND STRUCTURAL BIOL PLASMODIUM FALCIPARUM AND RELATED APICOMPLEXAN ORGA MOL.BIOCHEM.PARASITOL. V. 151 100 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
U5P A:5203;
Valid;
none;
submit data
324.181 C9 H13 N2 O9 P C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FFC 1.7 Å EC: 4.1.3.23 CRYSTAL STRUCTURE OF PLASMODIUM VIVAX OROTIDINE-MONOPHOSPHAT DECARBOXYL UMP BOUND PLASMODIUM VIVAX DECARBOXYLASE PV-PF10_0225 SGC STRUCTURAL GENOMICS STRUCGENOMICS CONSORTIUM LYASE
Ref.: GENOME-SCALE PROTEIN EXPRESSION AND STRUCTURAL BIOL PLASMODIUM FALCIPARUM AND RELATED APICOMPLEXAN ORGA MOL.BIOCHEM.PARASITOL. V. 151 100 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2FFC - U5P C9 H13 N2 O9 P C1=CN(C(=O....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2FFC - U5P C9 H13 N2 O9 P C1=CN(C(=O....
2 3VI2 - HMZ C11 H12 O5 COc1ccc(c(....
3 3S9Y Ki = 16.6 uM FNU C9 H13 F N3 O9 P C([C@@H]1[....
4 2Q8Z Ki = 2.1 uM NUP C9 H14 N3 O9 P C1=C(N(C(=....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2FFC - U5P C9 H13 N2 O9 P C1=CN(C(=O....
2 3VI2 - HMZ C11 H12 O5 COc1ccc(c(....
3 3S9Y Ki = 16.6 uM FNU C9 H13 F N3 O9 P C([C@@H]1[....
4 2Q8Z Ki = 2.1 uM NUP C9 H14 N3 O9 P C1=C(N(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: U5P; Similar ligands found: 120
No: Ligand ECFP6 Tc MDL keys Tc
1 U5P 1 1
2 44P 0.790323 0.941176
3 UDP 0.78125 0.984615
4 UTP 0.746269 0.984615
5 2KH 0.735294 0.955224
6 UDP UDP 0.727273 0.953846
7 UPU 0.694444 0.954545
8 UNP 0.690141 0.955224
9 URM 0.662338 0.913043
10 660 0.662338 0.913043
11 URI 0.661017 0.848485
12 U 0.661017 0.848485
13 UFM 0.641026 0.926471
14 GDU 0.641026 0.926471
15 UPG 0.641026 0.926471
16 GUD 0.641026 0.926471
17 U2F 0.6375 0.875
18 UPF 0.6375 0.875
19 Y6W 0.632911 0.875
20 UDH 0.628205 0.851351
21 UPP 0.628205 0.926471
22 UFG 0.617284 0.875
23 CJB 0.603175 0.80597
24 UDX 0.597561 0.926471
25 UAD 0.597561 0.926471
26 UDP GAL 0.597561 0.898551
27 3UC 0.588235 0.875
28 U U 0.585366 0.969697
29 UGB 0.583333 0.940298
30 USQ 0.583333 0.807692
31 UGA 0.583333 0.940298
32 5FU 0.57971 0.927536
33 G3N 0.576471 0.9
34 U3P 0.573529 0.953846
35 UA3 0.573529 0.953846
36 C 0.571429 0.941176
37 CH 0.571429 0.926471
38 CAR 0.571429 0.941176
39 C5P 0.571429 0.941176
40 UDM 0.568182 0.9
41 5BU 0.56338 0.927536
42 U4S 0.557143 0.763889
43 UD1 0.555556 0.913043
44 UD2 0.555556 0.913043
45 CSQ 0.550562 0.863014
46 CSV 0.550562 0.863014
47 U3S 0.541667 0.763889
48 U2S 0.541667 0.777778
49 CNU 0.540541 0.941176
50 S5P 0.535211 0.901408
51 16B 0.534247 0.901408
52 U2P 0.528571 0.939394
53 DU 0.527778 0.911765
54 UMP 0.527778 0.911765
55 HP7 0.526882 0.926471
56 UD7 0.526882 0.913043
57 MJZ 0.521277 0.9
58 UP6 0.521127 0.884058
59 UD4 0.515789 0.9
60 HWU 0.515789 0.887324
61 12V 0.515789 0.887324
62 BMP 0.513889 0.955224
63 UP5 0.510204 0.84
64 DKX 0.507246 0.732394
65 U6M 0.506849 0.969697
66 NUP 0.506849 0.927536
67 IUG 0.505155 0.797468
68 EPZ 0.5 0.9
69 U1S 0.5 0.76
70 JW5 0.5 0.955224
71 4TC 0.5 0.818182
72 EPU 0.49505 0.887324
73 A U 0.49505 0.815789
74 EEB 0.49505 0.887324
75 UDZ 0.494949 0.84
76 H2U 0.486111 0.911765
77 6AU 0.480519 0.969697
78 OMP 0.480519 0.969697
79 6CN 0.480519 0.941176
80 TKW 0.48 0.927536
81 UMF 0.479452 0.869565
82 UUA 0.477612 0.757576
83 U U U U 0.476744 0.954545
84 BMQ 0.472222 0.939394
85 PUP 0.47191 0.926471
86 5HM 0.467532 0.888889
87 O7E 0.463415 0.941176
88 ICR 0.460526 0.830986
89 UMA 0.458716 0.9
90 O7M 0.45679 0.941176
91 UC5 0.455696 0.885714
92 UTP U U U 0.454545 0.909091
93 CDP 0.45 0.927536
94 2TU 0.449275 0.760563
95 FNU 0.441558 0.876712
96 2QR 0.439655 0.810127
97 N3E 0.4375 0.743243
98 DUD 0.4375 0.898551
99 2OM 0.435897 0.925373
100 U22 0.434783 0.777778
101 U21 0.434783 0.797468
102 U20 0.434783 0.797468
103 DUT 0.433735 0.898551
104 CTP 0.433735 0.927536
105 8OP 0.428571 0.849315
106 8GM 0.421687 0.853333
107 5GW 0.420455 0.927536
108 U A A U 0.418803 0.853333
109 4RA 0.414634 0.842105
110 DUP 0.411765 0.873239
111 DUN 0.409639 0.873239
112 CDP MG 0.409639 0.861111
113 UD0 0.408 0.831169
114 UVC 0.407895 0.842857
115 UM3 0.407895 0.897059
116 C5G 0.404255 0.875
117 UPA 0.401869 0.828947
118 A U C C 0.401639 0.794872
119 A G U 0.4 0.7875
120 UAG 0.4 0.851351
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FFC; Ligand: U5P; Similar sites found: 201
This union binding pocket(no: 1) in the query (biounit: 2ffc.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KMT SAH 0.002337 0.40728 None
2 3QDT A2G GAL 0.002472 0.45307 1.3986
3 3QDY CBS 0.01017 0.41716 1.3986
4 1Y42 TYR 0.005171 0.41307 1.41643
5 3K37 BCZ 0.0249 0.40585 1.41643
6 1S8F GDP 0.00267 0.40517 1.69492
7 1H0C AOA 0.007693 0.42276 1.69972
8 2YPO PHE 0.001424 0.41935 1.69972
9 1YHM AHD 0.007791 0.41086 1.69972
10 4G1V FAD 0.004036 0.4004 1.69972
11 4I9A NCN 0.00384 0.40257 1.73611
12 1V35 NAI 0.001926 0.42782 1.82371
13 1YOA FMN 0.03345 0.41908 1.88679
14 1TDF NAP 0.02462 0.40394 1.89873
15 1TDF FAD 0.01345 0.40041 1.89873
16 1XX4 BAM 0.01091 0.40205 1.91571
17 3BHO B4P 0.005152 0.45412 1.92308
18 4JK3 NAD 0.003029 0.40624 1.9305
19 2PT9 2MH 0.001738 0.42154 1.983
20 3A2Q ACA ACA 0.0003513 0.41819 1.983
21 4FFG 0U8 0.00722 0.41779 1.983
22 2PT9 S4M 0.001869 0.40913 1.983
23 2WA4 069 0.003083 0.40732 2.00573
24 3SHR CMP 0.001607 0.423 2.00669
25 4JEJ 1GP 0.0117 0.40454 2.04918
26 1GVF PGH 0.007045 0.42866 2.0979
27 1GAD NAD 0.003306 0.40199 2.12121
28 3KDN CAP 0.007847 0.43009 2.26629
29 4KS1 2H8 0.005214 0.41348 2.26629
30 4QDC ASD 0.00258 0.40653 2.26629
31 3MAG 3MA 0.008453 0.44287 2.28013
32 1EDO NAP 0.01208 0.41535 2.45902
33 3VPD ANP 0.0017 0.40357 2.4911
34 3P7I P7I 0.002897 0.42349 2.49221
35 1YBH FAD 0.004152 0.41327 2.54958
36 2XDQ MGX 0.02657 0.40972 2.54958
37 1KOL NAD 0.007194 0.40125 2.54958
38 3E6J DR2 0.02257 0.41677 2.62009
39 1E4E ADP 0.0008503 0.40969 2.62391
40 1EB9 HBA 0.004401 0.4015 2.67176
41 1I0Z OXM 0.002458 0.46156 2.7027
42 1CKN GTP 0.006417 0.4258 2.72727
43 1CKM GTP 0.006646 0.42504 2.72727
44 3ZPG 5GP 0.008568 0.43444 2.87958
45 1BDB NAD 0.02348 0.40478 2.88809
46 1P4C FMN 0.004397 0.43174 3.11615
47 3O2K DST 0.003525 0.41997 3.11615
48 2NLI LAC 0.01646 0.40502 3.11615
49 2NLI FMN 0.01523 0.40502 3.11615
50 2Q09 DI6 0.006227 0.40479 3.11615
51 4K30 NLG 0.004462 0.40579 3.125
52 1V7R CIT 0.008771 0.44203 3.22581
53 3I0O SMI 0.003711 0.42467 3.24484
54 1SS4 CIT 0.0006194 0.51508 3.26797
55 1SS4 GSH 0.008896 0.45452 3.26797
56 1D09 PAL 0.01366 0.42759 3.26797
57 2B7N NTM 0.01065 0.40503 3.2967
58 2J7T 274 0.003157 0.4056 3.31126
59 2VKL MLT 0.04262 0.40582 3.33333
60 1DQX BMP 0.00000009957 0.61441 3.37079
61 4NAO AKG 0.009016 0.41958 3.37423
62 4M5P MLA 0.003002 0.46638 3.39943
63 4M5P 23W 0.02906 0.40158 3.39943
64 3IU9 T07 0.01379 0.4074 3.47222
65 1QDS PGA 0.01464 0.40385 3.58566
66 1NVU GTP 0.0006593 0.45684 3.61446
67 1NVV GNP 0.00006585 0.40875 3.61446
68 4B1L FRU 0.01895 0.40708 3.63636
69 3E5P PPI 0.01007 0.4569 3.68272
70 3DGB MUC 0.000915 0.42717 3.68272
71 2ZJF BSU 0.00238 0.41638 3.68272
72 3EW2 BTN 0.007148 0.40238 3.7037
73 3GLC R5P 0.01377 0.4012 3.72881
74 1WNG SAH 0.00122 0.4065 3.77358
75 1WRA PC 0.000824 0.46747 3.8961
76 3TFC PEP 0.0007332 0.44818 3.8961
77 3OVR 5SP 0.001908 0.40565 3.94737
78 1U7Z PMT 0.004247 0.40618 3.9823
79 2GDZ NAD 0.004547 0.40131 4.11985
80 1C0I FAD 0.001608 0.43474 4.24929
81 1C0I BE2 0.001608 0.43474 4.24929
82 4LWM MHO 0.02487 0.40372 4.24929
83 4W6Z 8ID 0.005911 0.40328 4.24929
84 2ZYF AKG 0.007627 0.40125 4.24929
85 1OTH PAO 0.002598 0.41267 4.36137
86 3F81 STT 0.01289 0.42554 4.37158
87 4DN8 BMA 0.01477 0.40406 4.48718
88 3JDW ORN 0.000228 0.41897 4.53258
89 1RYI FAD 0.004656 0.41342 4.53258
90 1RYI GOA 0.00662 0.40955 4.53258
91 1RZM E4P 0.002209 0.44775 4.73373
92 1RZM PEP 0.002473 0.42634 4.73373
93 3BRE C2E 0.005149 0.42444 4.81586
94 4RJK PYR 0.01685 0.41303 4.81586
95 4F8L GAL 0.0009473 0.50422 4.82759
96 3D3W NAP 0.003092 0.40864 4.91803
97 1D6H COA 0.002126 0.42821 5.09915
98 2ZI8 SDT 0.003214 0.40532 5.09915
99 2GSD NAD 0.006851 0.40093 5.09915
100 1C1L GAL BGC 0.004586 0.43313 5.10949
101 2Y6P CTP 0.0003814 0.44722 5.12821
102 1NNS ASP 0.002851 0.41334 5.21472
103 1SW0 PGA 0.01391 0.40099 5.24194
104 1H8G CHT 0.01265 0.44246 5.26316
105 2W5P CL8 0.01789 0.41006 5.36913
106 2IZ1 ATR 0.0004529 0.47128 5.38244
107 1M5B BN1 0.00521 0.42334 5.38244
108 4IP7 FLC 0.02235 0.40303 5.38244
109 2QLX RM4 0.01355 0.4114 5.55556
110 2XK9 XK9 0.003691 0.40961 5.59006
111 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.001353 0.40292 5.62914
112 2ZWS PLM 0.001231 0.49798 5.66572
113 2C31 TZD 0.005131 0.43213 5.66572
114 2C31 ADP 0.004959 0.43213 5.66572
115 3GTD MLI 0.01108 0.40428 5.66572
116 1I2L DCS 0.0009605 0.40189 5.66572
117 4N7C AEF 0.01581 0.40829 5.68182
118 2YC5 6BC 0.005356 0.40485 5.70175
119 1GUI BGC BGC BGC BGC BGC BGC 0.01203 0.41681 5.80645
120 1JN2 SFP 0.04355 0.40148 5.90717
121 3WE0 FAD 0.005465 0.4127 5.94901
122 1RP0 AHZ 0.01449 0.41216 5.98592
123 4UTU LRY 0.004122 0.42163 6.11354
124 4EXO PYR 0.0002217 0.5032 6.16438
125 3BY8 MLT 0.001535 0.45503 6.23229
126 3TKA CTN 0.008375 0.45333 6.23229
127 4B9E FAH 0.006699 0.42554 6.31229
128 2HFK E4H 0.005506 0.41194 6.58307
129 1M5W DXP 0.009565 0.42189 6.58436
130 4JCA CIT 0.004306 0.45819 6.58683
131 2XD9 XD9 0.02319 0.42544 6.58683
132 1EXB NDP 0.002199 0.44637 6.79612
133 1Q0H NDP 0.008864 0.40818 6.79887
134 1Q0H FOM 0.008009 0.40818 6.79887
135 1KYV RBF 0.0007041 0.408 6.79887
136 2Q1A 2KT 0.01293 0.40664 6.82594
137 4NAT ADP 0.008245 0.42763 6.875
138 4NAT 2W5 0.004996 0.40818 6.875
139 4B8V NDG NAG NAG NAG 0.001337 0.41582 7.01754
140 3JQ3 ADP 0.002151 0.41809 7.08215
141 1Z44 NPO 0.04206 0.41353 7.08215
142 3EXS 5RP 0.000803 0.46473 7.23982
143 3QH2 3NM 0.005241 0.4352 7.23982
144 1I2B UPG 0.01056 0.40986 7.36544
145 1I2B NAD 0.01056 0.40986 7.36544
146 1I2B USQ 0.01056 0.40986 7.36544
147 2Z9V PXM 0.002177 0.42863 7.64873
148 2Q1S NAI 0.01169 0.40019 7.64873
149 1Q6O LG6 0.0002235 0.45285 7.87037
150 1GJW MAL 0.001781 0.42127 7.93201
151 1GJW GLC 0.008982 0.41966 7.93201
152 1X1T NAD 0.01847 0.40902 8.07692
153 1RBO CAP 0.004061 0.4552 8.13008
154 1T0S BML 0.02347 0.40608 8.13953
155 3SJ0 DXC 0.0185 0.40513 8.4507
156 3TA2 ATP 0.005877 0.40165 8.47458
157 3UEC ALA ARG TPO LYS 0.01666 0.40723 8.90411
158 3FC2 IBI 0.002161 0.41287 8.95522
159 1GSA ADP 0.006535 0.41327 9.17722
160 1NU4 MLA 0.04017 0.40719 9.27835
161 2V6A CAP 0.007051 0.40188 9.28571
162 1Y1A GSH 0.005264 0.47245 9.28962
163 1ULE GLA GAL NAG 0.007091 0.43112 9.33333
164 1XE7 GUN 0.02502 0.41104 9.35961
165 1RKD RIB 0.00512 0.40201 9.38511
166 1RKD ADP 0.00512 0.40201 9.38511
167 2O66 FLC 0.007105 0.41258 9.62963
168 4O8A FAD 0.002852 0.4099 9.63173
169 1TUV VK3 0.0005255 0.495 9.64912
170 1UZD CAP 0.007841 0.40165 9.70149
171 2YVF NAD 0.001121 0.45257 9.91501
172 2EB5 OXL 0.01564 0.40295 9.91501
173 1GZW GAL BGC 0.02264 0.40602 10.4478
174 3GE7 AFQ 0.003122 0.41104 10.4816
175 2NX1 RP5 0.001824 0.4126 10.4869
176 4GO7 THR 0.00508 0.4036 10.5
177 3K3K A8S 0.00121 0.40663 10.9005
178 1RBL CAP 0.004603 0.41348 11.0092
179 1ECM TSA 0.003802 0.41338 11.0092
180 3S9K CIT 0.00546 0.45983 11.0169
181 4NAE 1GP 0.01122 0.42243 12
182 1EIX BMQ 0.000004307 0.54449 12.2449
183 1R6D NAD 0.0114 0.40784 12.4629
184 1Y75 NAG 0.0045 0.41045 12.7119
185 2FLI DX5 0.0008564 0.42571 13.6364
186 2WGC SIA GAL BGC 0.04596 0.41137 14.0351
187 1UO4 PIH 0.002341 0.47203 14.7059
188 1Y7P RIP 0.0178 0.41189 15.6951
189 3B0P FMN 0.009916 0.40041 16
190 2J07 HDF 0.008014 0.41068 16.1473
191 2J07 FAD 0.008014 0.41068 16.1473
192 2V5E SCR 0.03362 0.4113 16.8317
193 1BTN I3P 0.0003857 0.53243 16.9811
194 1UO5 PIH 0.00645 0.45854 17.6471
195 2OFE NAG 0.013 0.40653 20.4225
196 4HKP 16B 0.0000001291 0.60338 23.7179
197 4HKP TKW 0.0000001279 0.56397 23.7179
198 1O9U ADZ 0.002478 0.46138 27.7778
199 2QCD U5P 0.00000001918 0.64227 30.7692
200 1DBT U5P 0.000001442 0.5584 33.8912
201 1LOR BMP 0.0000000000002275 0.60407 45.1754
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