Receptor
PDB id Resolution Class Description Source Keywords
4EIL 2.2 Å EC: 1.5.1.3_2.1.1.45 CRYSTAL STRUCTURE OF THE LOOP TRUNCATED TOXOPLASMA GONDII TS TOXOPLASMA GONDII BIFUNCTIONAL OXIDOREDUCTASE TRANSFERASE
Ref.: FIRST THREE-DIMENSIONAL STRUCTURE OF TOXOPLASMA GON THYMIDYLATE SYNTHASE-DIHYDROFOLATE REDUCTASE: INSIG CATALYSIS, INTERDOMAIN INTERACTIONS, AND SUBSTRATE CHANNELING. BIOCHEMISTRY V. 52 7305 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CB3 A:702;
C:702;
G:702;
F:702;
D:702;
B:702;
E:702;
H:702;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
477.469 C24 H23 N5 O6 C#CCN...
UMP H:701;
F:701;
C:701;
E:701;
B:701;
G:701;
A:701;
D:701;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
308.182 C9 H13 N2 O8 P C1[C@...
FOL E:703;
F:703;
B:703;
H:703;
D:703;
G:703;
C:703;
A:703;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
441.397 C19 H19 N7 O6 c1cc(...
NDP H:704;
G:704;
E:704;
F:704;
A:704;
D:704;
B:704;
C:704;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EIL 2.2 Å EC: 1.5.1.3_2.1.1.45 CRYSTAL STRUCTURE OF THE LOOP TRUNCATED TOXOPLASMA GONDII TS TOXOPLASMA GONDII BIFUNCTIONAL OXIDOREDUCTASE TRANSFERASE
Ref.: FIRST THREE-DIMENSIONAL STRUCTURE OF TOXOPLASMA GON THYMIDYLATE SYNTHASE-DIHYDROFOLATE REDUCTASE: INSIG CATALYSIS, INTERDOMAIN INTERACTIONS, AND SUBSTRATE CHANNELING. BIOCHEMISTRY V. 52 7305 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4EIL - UMP C9 H13 N2 O8 P C1[C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4EIL - UMP C9 H13 N2 O8 P C1[C@@H]([....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3QG2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 4DP3 Ki = 0.54 nM MMV C18 H24 N4 O4 CCc1c(c(nc....
3 3QGT - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 4DPD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 3UM5 Ki = 0.6 nM CP6 C12 H13 Cl N4 CCc1c(c(nc....
6 4DPH Ki = 5.59 nM P65 C14 H15 Cl3 N4 O2 Cc1c(c(nc(....
7 4EIL - UMP C9 H13 N2 O8 P C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CB3; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 CB3 1 1
2 PFG 0.902174 0.96875
3 DZF 0.459459 0.861538
4 NHS 0.445455 0.870968
5 3YA 0.433628 0.771429
6 3Y9 0.428571 0.782609
7 D16 0.422414 0.753425
8 9L9 0.419048 0.742857
9 83A 0.417391 0.811594
10 THF 0.40678 0.783784
11 1JY 0.406015 0.811594
12 21V 0.405172 0.739726
13 DDF 0.405172 0.739726
14 DHF 0.403509 0.785714
15 LYA 0.401786 0.794118
16 1YA 0.4 0.828571
Ligand no: 2; Ligand: UMP; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 UMP 1 1
2 DU 1 1
3 DUD 0.8 0.985075
4 UC5 0.772727 0.970588
5 DUT 0.753623 0.985075
6 DUN 0.75 0.956522
7 DUP 0.742857 0.956522
8 DUS 0.692308 0.853333
9 DUT MG 0.684932 0.914286
10 DUR 0.683333 0.852941
11 UMP AF3 PO4 0.675676 0.876712
12 DDN 0.632353 1
13 UFP 0.591549 0.929577
14 BRU 0.583333 0.929577
15 5HU 0.583333 0.942857
16 TMP 0.583333 0.956522
17 UM3 0.57971 0.955224
18 5IU 0.575342 0.929577
19 DCM 0.561644 0.928571
20 DC 0.561644 0.928571
21 BVP 0.531646 0.942857
22 DU DU DU DU BRU DU DU 0.53125 0.864865
23 U5P 0.527778 0.911765
24 DDU 0.523077 0.753623
25 UMC 0.520548 0.941176
26 QBT 0.493333 0.927536
27 DUA 0.487805 0.783784
28 DU3 0.487805 0.780822
29 DU4 0.47619 0.76
30 TYD 0.469136 0.942857
31 YYY 0.451219 0.915493
32 UDP 0.45 0.898551
33 TTP 0.447059 0.942857
34 8OG 0.435294 0.835443
35 UA3 0.434211 0.897059
36 U3P 0.434211 0.897059
37 U2P 0.434211 0.884058
38 UTP 0.433735 0.898551
39 44P 0.43038 0.914286
40 DCP 0.430233 0.915493
41 DUX 0.411765 0.756757
42 2KH 0.411765 0.873239
43 UMF 0.410256 0.84507
44 139 0.409091 0.8
45 UPU 0.409091 0.871429
46 U 0.408451 0.771429
47 URI 0.408451 0.771429
48 TBD 0.406977 0.90411
49 PUA 0.405172 0.833333
50 UNP 0.402299 0.873239
51 UDX 0.4 0.873239
52 UAD 0.4 0.873239
53 PUP 0.4 0.955882
Ligand no: 3; Ligand: FOL; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 FOL 1 1
2 28Z 0.617647 0.967742
3 29C 0.617647 0.967742
4 29D 0.617647 0.967742
5 DZF 0.58 0.983333
6 04J 0.545455 0.885246
7 DHF 0.514563 0.863636
8 9L9 0.45 0.791045
9 3TZ 0.447368 0.863636
10 FON 0.447368 0.802817
11 THF 0.446429 0.780822
12 83A 0.445455 0.921875
13 TLL 0.436975 0.75
14 LYA 0.429907 0.875
15 FFO 0.429825 0.802817
16 THG 0.428571 0.863636
17 1YJ 0.428571 0.863636
18 C2F 0.421053 0.77027
19 MTX 0.410714 0.779412
Ligand no: 4; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EIL; Ligand: CB3; Similar sites found: 14
This union binding pocket(no: 1) in the query (biounit: 4eil.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PTR PRB 0.01799 0.40151 None
2 1EK0 GNP 0.02509 0.40034 1.17647
3 1SAY PYR 0.01519 0.42256 1.93906
4 3ZV6 NAD 0.03384 0.41115 2.13523
5 3ZV6 4HB 0.0351 0.41115 2.13523
6 4ANW O92 0.03124 0.40311 3.35689
7 1SR7 MOF 0.03165 0.40282 3.4749
8 3WYJ H78 0.04408 0.41827 3.55731
9 4N70 2HX 0.0459 0.40732 3.65854
10 2BSA NAP 0.04294 0.41254 4.62046
11 1YVD GNP 0.02296 0.40227 5.32544
12 4M0R 644 0.04898 0.40342 7.38786
13 1O9U ADZ 0.01404 0.42208 9.42857
14 3SJK LYS PRO VAL LEU ARG THR ALA 0.005033 0.43275 13.1579
Pocket No.: 2; Query (leader) PDB : 4EIL; Ligand: UMP; 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: 4eil.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4EIL; Ligand: NDP; 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: 4eil.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4EIL; Ligand: UMP; Similar sites found: 9
This union binding pocket(no: 4) in the query (biounit: 4eil.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LRT ADP 0.01588 0.40276 1.37795
2 5M67 ADE 0.02667 0.4153 2.50522
3 5M67 NAD 0.02682 0.41517 2.50522
4 5M67 3D1 0.02687 0.41513 2.50522
5 1V8B NAD 0.0155 0.41669 3.34029
6 1PZM 5GP 0.008905 0.41265 3.79147
7 4OWK NGA 0.008774 0.40393 5.7971
8 5B6D C5P 0.00000006892 0.61479 17.5385
9 1B5E DCM 0.00003536 0.41082 33.7398
Pocket No.: 5; Query (leader) PDB : 4EIL; Ligand: FOL; Similar sites found: 41
This union binding pocket(no: 5) in the query (biounit: 4eil.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3VET TOY 0.04853 0.40839 1.76678
2 3VET ADP 0.0387 0.40839 1.76678
3 1T8U UAP SGN IDS SGN 0.009945 0.42829 2.20588
4 3IX8 TX3 0.006513 0.42261 2.89017
5 4RW3 SHV 0.03385 0.40751 3.31126
6 3B6C SDN 0.009292 0.41646 3.4188
7 3MJY FMN 0.02596 0.40136 3.46821
8 3MJY IJZ 0.02596 0.40136 3.46821
9 5IR4 ZPE 0.03847 0.40157 3.53357
10 4WCX MET 0.02803 0.40282 3.75
11 5G41 AP5 0.04264 0.40095 4.03587
12 4UCC ZKW 0.02461 0.40719 5.5794
13 5FQK 6NT 0.02128 0.40179 6.3197
14 2QE4 JJ3 0.03209 0.41189 6.45161
15 4MPO AMP 0.01114 0.41224 7.18954
16 1XRO LEU 0.03008 0.40035 8.53242
17 4MKF AP5 0.03084 0.40467 10.1382
18 5KAU RHQ 0.009924 0.40406 10.9091
19 3L9R L9Q 0.01075 0.42126 11.2245
20 5F6U 5VK 0.02997 0.40634 11.465
21 1D1G MTX 0.000000002138 0.68211 35.119
22 3EEL 53T 0.00000003678 0.43305 36.1233
23 4M7V RAR 0.00000001503 0.72506 36.5714
24 4M7V NAP 0.002498 0.4496 36.5714
25 3RG9 WRA 0.00000001115 0.72269 38.3333
26 3RG9 NDP 0.00000007679 0.67575 38.3333
27 4KM2 TOP 0.0000002089 0.42544 39.6648
28 4KM2 ATR 0.0000004467 0.42084 39.6648
29 3KJS DQ1 0.00000003093 0.70432 41.0749
30 3DFR MTX 0.00000002721 0.65846 41.9753
31 2FZH DH1 0.0000000001329 0.82411 43.6893
32 2CIG 1DG 0.0000000002346 0.81375 44.0252
33 2BL9 CP6 0.00000003662 0.69344 44.5378
34 2BL9 NDP 0.00000003662 0.44412 44.5378
35 3IX9 MTX 0.000000008376 0.63642 45.7895
36 4LAE NAP 0.00000001301 0.40959 47.9042
37 4LAE 1VM 0.00000001301 0.40959 47.9042
38 1AOE GW3 0.00000008515 0.68076 47.9167
39 1AOE NDP 0.00000008515 0.43477 47.9167
40 1DR1 NAP 0.00000002053 0.70772 48.6772
41 1DR1 HBI 0.00000002053 0.4509 48.6772
Pocket No.: 6; Query (leader) PDB : 4EIL; Ligand: CB3; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4eil.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4EIL; Ligand: FOL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4eil.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4EIL; Ligand: NDP; Similar sites found: 64
This union binding pocket(no: 8) in the query (biounit: 4eil.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CBZ ATP 0.03019 0.41747 1.68776
2 2QV7 ADP 0.004799 0.42785 1.78042
3 4XFR CIT 0.01957 0.42205 1.87354
4 3NKS ACJ 0.01214 0.40895 1.94346
5 4UP4 NDG 0.003563 0.44529 1.99501
6 2IYF UDP 0.003609 0.45166 2.16867
7 2VZ6 FEF 0.01104 0.4183 2.23642
8 4WZ6 ATP 0.02162 0.41812 2.41379
9 5TME UDP 0.0108 0.42285 2.56959
10 5E5U MLI 0.005449 0.45525 3.0303
11 3B6C SDN 0.03451 0.40497 3.4188
12 4HA9 NDP 0.0000002093 0.5367 3.61446
13 1T9D P22 0.01557 0.42338 3.71025
14 2ZV2 609 0.01349 0.41798 4.02685
15 5T96 79J 0.0153 0.422 4.09357
16 4BHN BH9 0.01158 0.40017 4.19162
17 2F2U M77 0.02281 0.40647 4.47761
18 3GXW SIN 0.00653 0.41352 4.85437
19 4WNP 3RJ 0.01493 0.4082 4.87805
20 2NUN ADP 0.02848 0.40537 4.947
21 2W68 SIA GAL BGC 0.03358 0.40292 5.12821
22 4PPF FLC 0.01628 0.4367 5.14286
23 5L3S G 0.04636 0.40224 5.36913
24 4R2I ANP 0.02141 0.41603 6.19048
25 3NHB ADP 0.01658 0.42444 6.20915
26 4BQS K2Q 0.02697 0.4066 6.25
27 3B9Q MLI 0.02074 0.42739 6.29139
28 3FIU POP 0.04189 0.40579 6.82731
29 1JJ7 ADP 0.02623 0.4205 6.92308
30 2OBM ADP 0.02381 0.41525 7.06714
31 3KYF 5GP 5GP 0.01934 0.41009 7.35931
32 5HWK BEZ 0.02631 0.41155 7.91667
33 4RL4 PPV 0.01775 0.42831 8.96226
34 4WOV 3SM 0.01424 0.41287 9.14826
35 1KNY KAN 0.01929 0.42213 9.48617
36 4RJD TFP 0.04271 0.40383 12.1212
37 1GXU 2HP 0.01663 0.44275 16.4835
38 5G1X ADP 0.01398 0.40607 19.0476
39 3LQV ADE 0.03576 0.40413 19.1304
40 1M2Z BOG 0.02045 0.42328 28.5714
41 1JUV NDP 0.00000000219 0.63408 33.1606
42 1D1G NDP 0.000000002322 0.6182 35.119
43 3EEL 53T 0.00000000007273 0.58673 36.1233
44 4M7V RAR 0.00000000002923 0.75002 36.5714
45 4M7V NAP 0.000000000009686 0.74064 36.5714
46 3RG9 NDP 0.0000000000006382 0.79836 38.3333
47 3RG9 WRA 0.0000000000009993 0.79836 38.3333
48 4KM2 ATR 0.000000009713 0.54431 39.6648
49 4KM2 TOP 0.00000001084 0.53645 39.6648
50 3KJS NAP 0.0000000000004984 0.78466 41.0749
51 3KJS DQ1 0.000000000002864 0.78466 41.0749
52 3DFR NDP 0.000000000002 0.77631 41.9753
53 5DXV NAP 0.0000000009533 0.61308 42.3077
54 2FZH DH1 0.00000000001782 0.75465 43.6893
55 2CIG 1DG 0.000000000006591 0.77438 44.0252
56 2BL9 CP6 0.00000000000006428 0.84085 44.5378
57 2BL9 NDP 0.00000000000006428 0.70739 44.5378
58 3IX9 NDP 0.00000000003939 0.71628 45.7895
59 4LAE 1VM 0.000000000002957 0.55958 47.9042
60 4LAE NAP 0.000000000002957 0.55958 47.9042
61 1AOE GW3 0.000000004509 0.65324 47.9167
62 1AOE NDP 0.000000004509 0.54399 47.9167
63 1DR1 NAP 0.0000000000000685 0.84251 48.6772
64 1DR1 HBI 0.0000000000000685 0.69408 48.6772
Pocket No.: 9; Query (leader) PDB : 4EIL; Ligand: UMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4eil.bio3) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4EIL; Ligand: UMP; Similar sites found: 8
This union binding pocket(no: 10) in the query (biounit: 4eil.bio3) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1RC0 KT5 0.02512 0.40317 6.69856
2 3WLE NAD 0.01865 0.41627 6.74487
3 3P7G MAN 0.01783 0.40112 6.84932
4 2FXV 5GP 0.01352 0.40828 7.2165
5 2DFV NAD 0.02376 0.40191 8.35735
6 4P83 U5P 0.01152 0.40069 8.79121
7 4JLS 3ZE 0.01063 0.4046 9.21053
8 4HSU FAD 0.03541 0.40914 15.3226
Pocket No.: 11; Query (leader) PDB : 4EIL; Ligand: CB3; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4eil.bio3) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4EIL; Ligand: FOL; Similar sites found: 17
This union binding pocket(no: 12) in the query (biounit: 4eil.bio3) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1N7G GDR 0.0223 0.41718 2.09974
2 3TDC 0EU 0.0003317 0.53047 2.29682
3 1J78 OLA 0.01767 0.42606 3.27511
4 1RYD GLC 0.02403 0.40032 3.35917
5 3WYJ H78 0.02118 0.42216 3.55731
6 1H9G COA MYR 0.01487 0.40016 3.7037
7 1EWF PC1 0.023 0.4047 3.72807
8 4QJK COA 0.009466 0.40623 4.25532
9 3OV6 MK0 0.0145 0.40456 4.53401
10 1W5T ANP 0.004481 0.41403 5.09709
11 1W5T ADP 0.007028 0.40157 5.09709
12 3KDU NKS 0.0294 0.40544 5.41516
13 5L2J 6UL 0.0321 0.41301 6.12245
14 5L2J 70E 0.03384 0.41301 6.12245
15 3QKD HI0 0.01276 0.40035 6.62983
16 1GEG GLC 0.01124 0.40945 6.64062
17 4I67 G G G RPC 0.01366 0.40343 12.6437
Pocket No.: 13; Query (leader) PDB : 4EIL; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 4eil.bio3) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 4EIL; Ligand: NDP; Similar sites found: 5
This union binding pocket(no: 14) in the query (biounit: 4eil.bio3) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UP4 GAL NAG 0.03447 0.40243 1.99501
2 5KJW 53C 0.04038 0.40168 2.10773
3 3FHR P4O 0.007205 0.41253 3.27381
4 1J78 OLA 0.003206 0.45795 3.27511
5 2WR1 SIA GAL NAG 0.03272 0.40223 4.91159
Pocket No.: 15; Query (leader) PDB : 4EIL; Ligand: FOL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 4eil.bio3) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4EIL; Ligand: CB3; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 4eil.bio3) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 4EIL; Ligand: CB3; Similar sites found: 1
This union binding pocket(no: 17) in the query (biounit: 4eil.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PNE SAH 0.01907 0.40482 2.64901
Pocket No.: 18; Query (leader) PDB : 4EIL; Ligand: CB3; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 4eil.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 4EIL; Ligand: UMP; Similar sites found: 5
This union binding pocket(no: 19) in the query (biounit: 4eil.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TDF FAD 0.0486 0.40345 2.8481
2 1L1Q 9DA 0.01564 0.40036 3.22581
3 1P18 7HP 0.01889 0.40125 4.0724
4 4OPC FDA 0.04876 0.42584 7.06402
5 1N2A GTS 0.009097 0.40363 8.95522
Pocket No.: 20; Query (leader) PDB : 4EIL; Ligand: FOL; Similar sites found: 7
This union binding pocket(no: 20) in the query (biounit: 4eil.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2I0G I0G 0.02299 0.41534 3.11284
2 4U60 SIA GAL NGA 0.02257 0.40313 3.92857
3 4U60 SIA 0.02405 0.40076 3.92857
4 4YV5 SVR 0.04775 0.42546 5.7377
5 2E2R 2OH 0.0163 0.41006 5.7377
6 4REI 3MV 0.01626 0.40864 7.28477
7 3L9R L9R 0.02546 0.40276 11.2245
Pocket No.: 21; Query (leader) PDB : 4EIL; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 4eil.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 4EIL; Ligand: UMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 4eil.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 4EIL; Ligand: NDP; Similar sites found: 6
This union binding pocket(no: 23) in the query (biounit: 4eil.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3QSB 743 0.02952 0.40079 3.00546
2 4WCX ALA 0.01519 0.41231 3.75
3 3C0G 3AM 0.01867 0.40708 5.69801
4 4L80 OXL 0.04519 0.40178 5.74713
5 5JZJ AN2 0.01869 0.40013 6.39731
6 5BWD FUM 0.04094 0.40103 30
Pocket No.: 24; Query (leader) PDB : 4EIL; Ligand: FOL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 4eil.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 25; Query (leader) PDB : 4EIL; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 25) in the query (biounit: 4eil.bio4) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 26; Query (leader) PDB : 4EIL; Ligand: FOL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 26) in the query (biounit: 4eil.bio4) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 27; Query (leader) PDB : 4EIL; Ligand: UMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 27) in the query (biounit: 4eil.bio4) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 28; Query (leader) PDB : 4EIL; Ligand: UMP; Similar sites found: 2
This union binding pocket(no: 28) in the query (biounit: 4eil.bio4) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3R4S SLB 0.0191 0.40493 3.83747
2 3MBI HSX 0.01453 0.40008 9.05923
Pocket No.: 29; Query (leader) PDB : 4EIL; Ligand: CB3; Similar sites found: 2
This union binding pocket(no: 29) in the query (biounit: 4eil.bio4) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CPB GAL CN8 0.02102 0.40041 2.47934
2 3TKI S25 0.0491 0.40867 4.33437
Pocket No.: 30; Query (leader) PDB : 4EIL; Ligand: FOL; Similar sites found: 9
This union binding pocket(no: 30) in the query (biounit: 4eil.bio4) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5UGW GSH 0.04633 0.40504 2.28571
2 5CQG 55C 0.01628 0.41252 2.29682
3 2P1C GG3 0.01588 0.40148 3.84615
4 5N18 8HZ 0.0206 0.40529 6.42202
5 4ZBR NPS 0.0137 0.40692 7.24382
6 4ZBR DIF 0.01452 0.40692 7.24382
7 3FUR Z12 0.003908 0.4464 8.82353
8 4HIA FMN 0.0166 0.40644 12.5
9 1BWO LPC 0.006623 0.40466 15.5556
Pocket No.: 31; Query (leader) PDB : 4EIL; Ligand: CB3; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 31) in the query (biounit: 4eil.bio4) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 32; Query (leader) PDB : 4EIL; Ligand: NDP; Similar sites found: 3
This union binding pocket(no: 32) in the query (biounit: 4eil.bio4) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4I9B 1KA 0.03845 0.40279 3.48162
2 3W68 4PT 0.02397 0.41044 3.7594
3 4XMF HSM 0.03031 0.40696 3.80435
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