-->
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...
View in 3D viewer
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: 121
No: Ligand ECFP6 Tc MDL keys Tc
1 U 1 1
2 U5P 1 1
3 44P 0.790323 0.941176
4 UDP 0.78125 0.984615
5 UTP 0.746269 0.984615
6 2KH 0.735294 0.955224
7 UDP UDP 0.727273 0.953846
8 UPU 0.694444 0.954545
9 UNP 0.690141 0.955224
10 660 0.662338 0.913043
11 URM 0.662338 0.913043
12 URI 0.661017 0.848485
13 GUD 0.641026 0.926471
14 UFM 0.641026 0.926471
15 UPG 0.641026 0.926471
16 GDU 0.641026 0.926471
17 UPF 0.6375 0.875
18 U2F 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 3UC 0.588235 0.875
27 U U 0.585366 0.969697
28 UGB 0.583333 0.940298
29 USQ 0.583333 0.807692
30 UGA 0.583333 0.940298
31 5FU 0.57971 0.927536
32 G3N 0.576471 0.9
33 UA3 0.573529 0.953846
34 U3P 0.573529 0.953846
35 CAR 0.571429 0.941176
36 C 0.571429 0.941176
37 C5P 0.571429 0.941176
38 UDM 0.568182 0.9
39 5BU 0.56338 0.927536
40 U4S 0.557143 0.763889
41 UD1 0.555556 0.913043
42 UD2 0.555556 0.913043
43 CSQ 0.550562 0.863014
44 CSV 0.550562 0.863014
45 U2S 0.541667 0.777778
46 U3S 0.541667 0.763889
47 CNU 0.540541 0.941176
48 S5P 0.535211 0.901408
49 16B 0.534247 0.901408
50 U2P 0.528571 0.939394
51 DU 0.527778 0.911765
52 UMP 0.527778 0.911765
53 HP7 0.526882 0.926471
54 UD7 0.526882 0.913043
55 MJZ 0.521277 0.9
56 UP6 0.521127 0.884058
57 12V 0.515789 0.887324
58 F5G 0.515789 0.913043
59 UD4 0.515789 0.9
60 HWU 0.515789 0.887324
61 F5P 0.515789 0.9
62 BMP 0.513889 0.955224
63 UP5 0.510204 0.84
64 DKX 0.507246 0.732394
65 NUP 0.506849 0.927536
66 U6M 0.506849 0.969697
67 IUG 0.505155 0.797468
68 EPZ 0.5 0.9
69 U1S 0.5 0.76
70 4TC 0.5 0.818182
71 JW5 0.5 0.955224
72 EEB 0.49505 0.887324
73 A U 0.49505 0.815789
74 EPU 0.49505 0.887324
75 UDZ 0.494949 0.84
76 H2U 0.486111 0.911765
77 OMP 0.480519 0.969697
78 6AU 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 G U 0.471154 0.797468
87 5HM 0.467532 0.888889
88 O7E 0.463415 0.941176
89 ICR 0.460526 0.830986
90 UMA 0.458716 0.9
91 O7M 0.45679 0.941176
92 UC5 0.455696 0.885714
93 UTP U U U 0.454545 0.909091
94 CDP 0.45 0.927536
95 2TU 0.449275 0.760563
96 FNU 0.441558 0.876712
97 2QR 0.439655 0.810127
98 DUD 0.4375 0.898551
99 N3E 0.4375 0.743243
100 2OM 0.435897 0.925373
101 U21 0.434783 0.797468
102 U20 0.434783 0.797468
103 U22 0.434783 0.777778
104 DUT 0.433735 0.898551
105 HF4 0.433735 0.927536
106 CTP 0.433735 0.927536
107 8OP 0.428571 0.849315
108 8GM 0.421687 0.853333
109 5GW 0.420455 0.927536
110 U A A U 0.418803 0.853333
111 4RA 0.414634 0.842105
112 DUP 0.411765 0.873239
113 DUN 0.409639 0.873239
114 UD0 0.408 0.831169
115 UVC 0.407895 0.842857
116 UM3 0.407895 0.897059
117 C5G 0.404255 0.875
118 UPA 0.401869 0.828947
119 A U C C 0.401639 0.794872
120 UAG 0.4 0.851351
121 A G U 0.4 0.7875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FFC; Ligand: U5P; Similar sites found with APoc: 62
This union binding pocket(no: 1) in the query (biounit: 2ffc.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2FJK 13P 1.63934
2 4FFG 0U8 1.983
3 4JEJ 1GP 2.04918
4 1GVF PGH 2.0979
5 3KDN CAP 2.26629
6 3N75 G4P 2.54958
7 1CKM GTP 2.72727
8 5TCI MLI 2.83286
9 1DQX BMP 3.37079
10 2EV9 SKM 3.42205
11 1QDS PGA 3.58566
12 3HQP OXL 3.60721
13 4B1L FRU 3.63636
14 3GLC R5P 3.72881
15 3OVR 5SP 3.94737
16 4UTW RFW 4.36681
17 1LBF 137 4.45344
18 1CX9 NHP 4.47761
19 5AHN IMP 4.90798
20 2Y88 2ER 4.91803
21 1SW0 PGA 5.24194
22 1W8S FBP 5.32319
23 2W5P CL8 5.36913
24 4IP7 FLC 5.38244
25 1GUI BGC BGC BGC BGC BGC BGC 5.80645
26 4WCX MET 5.94901
27 4UTU LRY 6.11354
28 1M5W DXP 6.58436
29 1Z44 FMN 7.08215
30 5N9Z CAP 7.19424
31 3EXS 5RP 7.23982
32 3QH2 3NM 7.23982
33 1Q6O LG6 7.87037
34 1G51 AMP 7.93201
35 1IR1 CAP 8.13008
36 1GK8 CAP 9.28571
37 1IR2 CAP 9.28571
38 2V68 CAP 9.28571
39 2V6A CAP 9.28571
40 2V63 CAP 9.28571
41 2VDH CAP 9.28571
42 2V67 CAP 9.28571
43 1UZD CAP 9.70149
44 1GZW GAL BGC 10.4478
45 1UZH CAP 10.6557
46 2C3W GLC GLC GLC GLC 10.7843
47 1RBL CAP 11.0092
48 2CDO GAL AAL GAL AAL GAL AAL 11.25
49 4JLS 3ZE 11.8421
50 4NAE 1GP 12
51 1EIX BMQ 12.2449
52 1JCM 137 12.7413
53 5A5W GUO 13.4387
54 2FLI DX5 13.6364
55 3B0P FMN 16
56 4HKP 16B 23.7179
57 4HKP TKW 23.7179
58 3MI2 PFU 26.5233
59 2QCD U5P 30.7692
60 1DBT U5P 33.8912
61 1X1Z BMP 40.4762
62 1LOR BMP 45.1754
Pocket No.: 2; Query (leader) PDB : 2FFC; Ligand: U5P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2ffc.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback