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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 (21)
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 6APV Ki = 0.11 uM 3L4 C12 H20 N6 O8 P2 c1nc2c(n1C....
7 6APT Ki = 0.89 uM 45T C12 H21 N5 O9 P2 c1nc2c(n1C....
8 4RHY Ki = 1.13 uM 3QG C15 H29 N6 O10 P3 c1nc2c(n1C....
9 4RHX Ki = 1.6 uM 3QF C15 H27 N7 O8 P2 c1nc2c(n1C....
10 1HGX - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
11 1I0L - PRP C5 H13 O14 P3 C([C@@H]1[....
12 1TC2 - PRP C5 H13 O14 P3 C([C@@H]1[....
13 1I0I - PRP C5 H13 O14 P3 C([C@@H]1[....
14 1P19 Kd = 76.8 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
15 1P18 - PRP C5 H13 O14 P3 C([C@@H]1[....
16 1TC1 ic50 > 2 mM FMB C10 H12 N4 O5 C1=Nc2c(n[....
17 1I14 - PRP C5 H13 O14 P3 C([C@@H]1[....
18 1I13 - PRP C5 H13 O14 P3 C([C@@H]1[....
19 3ACD - IMP C10 H13 N4 O8 P c1nc2c(n1[....
20 3ACC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
21 1YFZ Ki = 45 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IMP; Similar ligands found: 76
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 5GP 0.609756 0.972603
7 G 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 GCP 0.46875 0.934211
23 G1R 0.46875 0.946667
24 AIR 0.468354 0.888889
25 PRT 0.466019 0.972222
26 NIA 0.464286 0.835443
27 9GM 0.463918 0.934211
28 GNP 0.463918 0.934211
29 GSP 0.463918 0.910256
30 AMP 0.458824 0.90411
31 1RB 0.458824 0.847222
32 A 0.458824 0.90411
33 ALF 5GP 0.458333 0.875
34 6SW 0.456522 0.930556
35 RBZ 0.453488 0.837838
36 GPG 0.45098 0.922078
37 7RP 0.448276 0.888889
38 GKE 0.447619 0.922078
39 GDC 0.447619 0.922078
40 GDD 0.447619 0.922078
41 RMB 0.443182 0.835616
42 AAM 0.443182 0.90411
43 P2P 0.443182 0.864865
44 IMO 0.443182 0.890411
45 7RA 0.443182 0.891892
46 FAI 0.443182 0.90411
47 JLN 0.443182 0.90411
48 G2R 0.441176 0.922078
49 G7M 0.43956 0.934211
50 XMP 0.438202 0.932432
51 IRN 0.435897 0.830986
52 Y9Z 0.433962 0.865854
53 71V 0.433333 0.825
54 PMO 0.433333 0.813333
55 GDP AF3 0.431373 0.875
56 ALF GDP 0.431373 0.875
57 GDP ALF 0.431373 0.875
58 JB2 0.431193 0.922078
59 GKD 0.431193 0.922078
60 GFB 0.429907 0.922078
61 GDR 0.429907 0.922078
62 6CK 0.425926 0.898734
63 G3A 0.425926 0.934211
64 YGP 0.424528 0.8875
65 G5P 0.422018 0.934211
66 PGS 0.419355 0.825
67 GTG 0.416667 0.898734
68 RVP 0.416667 0.837838
69 GDX 0.414414 0.934211
70 GUO 0.41 0.931507
71 GMP 0.406977 0.84
72 U2G 0.405172 0.898734
73 2SA 0.40404 0.894737
74 G G 0.40367 0.934211
75 6C6 0.402062 0.846154
76 GPD 0.401786 0.8875
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: 23
This union binding pocket(no: 1) in the query (biounit: 1yfz.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4QVB F42 None
2 5O96 SAM 1.46341
3 3NUG NAD 1.95122
4 3F4F UMP 3.41463
5 6FCH PRP 3.93258
6 1UPF URF 6.34146
7 4BJ8 BTN 6.34921
8 3C3D FO1 6.43087
9 2R3A SAM 6.82927
10 1OX5 1PR 6.82927
11 1QB7 ADE 7.31707
12 1CM8 ANP 7.80488
13 3KO8 NAD 9.26829
14 1WY7 SAH 10.2439
15 2OFV 242 10.2439
16 2FXV 5GP 11.7073
17 2PS1 PRP 12.1951
18 4XV1 904 12.1951
19 4CQE CQE 12.1951
20 5VJN IR8 13.369
21 5VJN ADE 13.369
22 1LH0 ORO 23.9024
23 4JLS 3ZE 44.7368
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: 13
This union binding pocket(no: 3) in the query (biounit: 1yfz.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2HV8 GTP 1.95122
2 5LD5 NAD 2.92683
3 1RM4 NDP 3.41463
4 1CER NAD 4.87805
5 1PVN MZP 4.87805
6 3IHB GLU 4.87805
7 3WQT ANP 5.36585
8 4QC6 30N 5.58659
9 3B20 NAD 6.34146
10 2D2I NAP 6.34146
11 2B4R AES 7.31707
12 3RYC GTP 7.69231
13 1HDG NAD 11.2195
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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