Receptor
PDB id Resolution Class Description Source Keywords
1YFZ 2.2 Å EC: 2.4.2.8 NOVEL IMP BINDING IN FEEDBACK INHIBITION OF HYPOXANTHINE-GUA PHOSPHORIBOSYLTRANSFERASE FROM THERMOANAEROBACTER TENGCONGE THERMOANAEROBACTER TENGCONGENSIS PROTEIN-NUCLEOTIDE COMPLEX TRANSFERASE
Ref.: ALTERNATIVE IMP BINDING IN FEEDBACK INHIBITION OF HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE FROM THERMOANAEROBACTER TENGCONGENSIS. J.MOL.BIOL. V. 348 1199 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1200;
B:2200;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
IMP A:1210;
B:2210;
Valid;
Valid;
none;
none;
Ki = 45 uM
348.206 C10 H13 N4 O8 P c1nc2...
MG A:1191;
A:1192;
B:2191;
B:2192;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YFZ 2.2 Å EC: 2.4.2.8 NOVEL IMP BINDING IN FEEDBACK INHIBITION OF HYPOXANTHINE-GUA PHOSPHORIBOSYLTRANSFERASE FROM THERMOANAEROBACTER TENGCONGE THERMOANAEROBACTER TENGCONGENSIS PROTEIN-NUCLEOTIDE COMPLEX TRANSFERASE
Ref.: ALTERNATIVE IMP BINDING IN FEEDBACK INHIBITION OF HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE FROM THERMOANAEROBACTER TENGCONGENSIS. J.MOL.BIOL. V. 348 1199 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1YFZ Ki = 45 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1YFZ Ki = 45 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
50% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1PZM - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
2 5KAM Ki = 77.3 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
3 6APS Ki = 0.22 uM SV2 C11 H19 N5 O9 P2 c1nc2c(n1C....
4 6APU Ki = 13.46 uM 3L6 C12 H22 N7 O4 P c1nc2c(n1C....
5 5JSQ Ki = 21.3 uM 6MS C11 H18 N5 O4 P c1nc2c(n1C....
6 6MXG - XMP C10 H14 N4 O9 P c1[nH+]c2c....
7 6APV Ki = 0.11 uM 3L4 C12 H20 N6 O8 P2 c1nc2c(n1C....
8 6APT Ki = 0.89 uM 45T C12 H21 N5 O9 P2 c1nc2c(n1C....
9 4RHY Ki = 1.13 uM 3QG C15 H29 N6 O10 P3 c1nc2c(n1C....
10 4RHX Ki = 1.6 uM 3QF C15 H27 N7 O8 P2 c1nc2c(n1C....
11 1HGX - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
12 1I0L - PRP C5 H13 O14 P3 C([C@@H]1[....
13 1TC2 - PRP C5 H13 O14 P3 C([C@@H]1[....
14 1I0I - PRP C5 H13 O14 P3 C([C@@H]1[....
15 1P19 Kd = 76.8 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
16 1P18 - PRP C5 H13 O14 P3 C([C@@H]1[....
17 1TC1 ic50 > 2 mM FMB C10 H12 N4 O5 C1=Nc2c(n[....
18 1I14 - PRP C5 H13 O14 P3 C([C@@H]1[....
19 1I13 - PRP C5 H13 O14 P3 C([C@@H]1[....
20 3ACD - IMP C10 H13 N4 O8 P c1nc2c(n1[....
21 3ACC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
22 1YFZ Ki = 45 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
23 6D9S - G4P C10 H17 N5 O17 P4 c1nc2c(n1[....
24 6D9R - PRP C5 H13 O14 P3 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IMP; Similar ligands found: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 IMP 1 1
2 IDP 0.824324 0.986111
3 R7I 0.759494 0.958904
4 R5I 0.759494 0.958904
5 NOS 0.724638 0.835616
6 G 0.609756 0.972603
7 5GP 0.609756 0.972603
8 DI 0.578313 0.92
9 SIB 0.549451 0.772152
10 93A 0.523256 0.841463
11 GDP 0.505495 0.959459
12 GP3 0.494505 0.934211
13 C2R 0.493827 0.891892
14 GTP 0.489362 0.959459
15 GP2 0.48913 0.922078
16 GNH 0.483871 0.946667
17 G2P 0.479167 0.922078
18 AMZ 0.47561 0.90411
19 SNI 0.475 0.8
20 GMV 0.473684 0.934211
21 GAV 0.469388 0.922078
22 G1R 0.46875 0.946667
23 GCP 0.46875 0.934211
24 AIR 0.468354 0.888889
25 PRT 0.466019 0.972222
26 NIA 0.464286 0.835443
27 GSP 0.463918 0.910256
28 9GM 0.463918 0.934211
29 GNP 0.463918 0.934211
30 AMP 0.458824 0.90411
31 A 0.458824 0.90411
32 1RB 0.458824 0.847222
33 ALF 5GP 0.458333 0.875
34 6SW 0.456522 0.930556
35 GDP BEF 0.453608 0.921053
36 RBZ 0.453488 0.837838
37 GPG 0.45098 0.922078
38 GTP MG 0.44898 0.945946
39 7RP 0.448276 0.888889
40 GDD 0.447619 0.922078
41 GDC 0.447619 0.922078
42 GKE 0.447619 0.922078
43 IMO 0.443182 0.890411
44 AAM 0.443182 0.90411
45 7RA 0.443182 0.891892
46 FAI 0.443182 0.90411
47 RMB 0.443182 0.835616
48 P2P 0.443182 0.864865
49 JLN 0.443182 0.90411
50 G2R 0.441176 0.922078
51 G7M 0.43956 0.934211
52 6MZ 0.438202 0.891892
53 XMP 0.438202 0.932432
54 IRN 0.435897 0.830986
55 Y9Z 0.433962 0.865854
56 PMO 0.433333 0.813333
57 71V 0.433333 0.825
58 GDP AF3 0.431373 0.875
59 GDP ALF 0.431373 0.875
60 JB2 0.431193 0.922078
61 GKD 0.431193 0.922078
62 GDR 0.429907 0.922078
63 GFB 0.429907 0.922078
64 G3A 0.425926 0.934211
65 6CK 0.425926 0.898734
66 YGP 0.424528 0.8875
67 G5P 0.422018 0.934211
68 PGS 0.419355 0.825
69 GTG 0.416667 0.898734
70 RVP 0.416667 0.837838
71 GDX 0.414414 0.934211
72 CZF 0.412371 0.945205
73 GUO 0.41 0.931507
74 GMP 0.406977 0.84
75 U2G 0.405172 0.898734
76 2SA 0.40404 0.894737
77 OK8 0.40404 0.868421
78 6C6 0.402062 0.846154
79 GPD 0.401786 0.8875
Similar Ligands (3D)
Ligand no: 1; Ligand: IMP; Similar ligands found: 191
No: Ligand Similarity coefficient
1 AMP MG 0.9955
2 IRP 0.9883
3 LMS 0.9853
4 ABM 0.9851
5 SRA 0.9850
6 FMP 0.9826
7 MZP 0.9773
8 45A 0.9770
9 EO7 0.9769
10 IMU 0.9747
11 D5M 0.9716
12 8OP 0.9680
13 DA 0.9634
14 6CG 0.9590
15 8BR 0.9570
16 A3N 0.9546
17 ZAS 0.9545
18 DGP 0.9534
19 DG 0.9534
20 AS 0.9530
21 5BU 0.9528
22 AOC 0.9513
23 PFU 0.9499
24 6MA 0.9489
25 7D5 0.9489
26 6OG 0.9483
27 FNU 0.9480
28 U5P 0.9477
29 3DH 0.9445
30 C 0.9444
31 M2T 0.9442
32 UFP 0.9440
33 NEC 0.9439
34 NYM 0.9435
35 UP6 0.9433
36 N5O 0.9431
37 5FU 0.9430
38 NMN 0.9419
39 8GM 0.9408
40 5HM 0.9408
41 6RE 0.9408
42 TKW 0.9407
43 TMP 0.9395
44 QBT 0.9395
45 CNU 0.9395
46 5CM 0.9391
47 MTM 0.9375
48 BMP 0.9368
49 BMQ 0.9363
50 J7C 0.9360
51 FDM 0.9341
52 BRU 0.9338
53 5HU 0.9331
54 16B 0.9328
55 MTA 0.9327
56 MTH 0.9324
57 C5P 0.9320
58 UMP 0.9317
59 NCN 0.9309
60 EP4 0.9304
61 DSH 0.9303
62 5IU 0.9288
63 NUP 0.9272
64 U 0.9264
65 DC 0.9250
66 DCM 0.9250
67 D4M 0.9250
68 2DT 0.9250
69 Z8B 0.9245
70 H2U 0.9239
71 9L3 0.9236
72 U6M 0.9231
73 8OG 0.9230
74 S5P 0.9221
75 ICR 0.9214
76 PSU 0.9214
77 PRX 0.9203
78 SSI 0.9195
79 O8M 0.9187
80 CH 0.9184
81 FN5 0.9184
82 DUS 0.9179
83 NWQ 0.9174
84 DU 0.9168
85 UMC 0.9159
86 JW5 0.9157
87 GJV 0.9137
88 4X2 0.9118
89 O7E 0.9111
90 6CN 0.9084
91 U4S 0.9082
92 MCF 0.9078
93 CAR 0.9050
94 TXS 0.9042
95 CA0 0.9035
96 CMP 0.9032
97 KG4 0.9027
98 DOC 0.9021
99 ADP 0.9020
100 DDN 0.9019
101 U2S 0.8998
102 3F5 0.8973
103 K8W 0.8963
104 U3S 0.8955
105 U1S 0.8955
106 T3S 0.8947
107 A3P 0.8943
108 SP1 0.8938
109 N8M 0.8933
110 NWZ 0.8916
111 F19 0.8915
112 ATM 0.8906
113 ADX 0.8901
114 MTE 0.8900
115 6AU 0.8876
116 2GE 0.8875
117 SU1 0.8868
118 RP1 0.8866
119 FMC 0.8862
120 ADN 0.8862
121 7CH 0.8852
122 43J 0.8851
123 A12 0.8850
124 ADP MG 0.8848
125 OMP 0.8845
126 3Q1 0.8841
127 AN2 0.8831
128 SON 0.8824
129 A2P 0.8821
130 7DD 0.8812
131 BVP 0.8810
132 NWW 0.8806
133 AP2 0.8789
134 DBM 0.8781
135 FGN 0.8774
136 IMH 0.8773
137 TAL 0.8768
138 UA2 0.8768
139 A4D 0.8765
140 A8M 0.8761
141 M33 0.8753
142 PCG 0.8751
143 G5A 0.8747
144 AT4 0.8746
145 5NB 0.8738
146 2OM 0.8730
147 GAP 0.8718
148 M7G 0.8716
149 AD3 0.8716
150 DN8 0.8714
151 AU1 0.8714
152 IXF 0.8712
153 TBN 0.8711
154 5N5 0.8709
155 1BJ 0.8706
156 FMB 0.8706
157 DOI 0.8706
158 1DA 0.8704
159 35G 0.8704
160 43G 0.8701
161 HPR 0.8689
162 PRH 0.8689
163 6SX 0.8688
164 MSS 0.8688
165 5FD 0.8679
166 DAT 0.8679
167 INR 0.8673
168 8OD 0.8670
169 MTP 0.8651
170 43H 0.8651
171 GOW 0.8629
172 VAL TRP 0.8628
173 FTU 0.8628
174 3AD 0.8627
175 HMK 0.8621
176 4ZK 0.8615
177 RVA 0.8603
178 460 0.8603
179 CLM 0.8600
180 GAR 0.8597
181 GQE 0.8596
182 3BH 0.8590
183 EKH 0.8576
184 GNG 0.8574
185 566 0.8565
186 A5A 0.8562
187 5ID 0.8561
188 F13 0.8557
189 468 0.8548
190 PUR 0.8548
191 3D1 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YFZ; Ligand: IMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1yfz.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1YFZ; Ligand: IMP; 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: 1yfz.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1YFZ; Ligand: IMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1yfz.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1YFZ; Ligand: IMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1yfz.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1YFZ; Ligand: IMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1yfz.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1YFZ; Ligand: IMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1yfz.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1YFZ; Ligand: IMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1yfz.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1YFZ; Ligand: IMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1yfz.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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