Receptor
PDB id Resolution Class Description Source Keywords
2PYU 2.02 Å EC: 3.6.1.19 STRUCTURE OF THE E. COLI INOSINE TRIPHOSPHATE PYROPHOSPHATAS COMPLEX WITH IMP ESCHERICHIA COLI ITP PYROPHOSPHATASE X-RAY STRUCTURE ENZYME MECHANISM PRODUCTHYDROLASE
Ref.: MOLECULAR BASIS OF THE ANTIMUTAGENIC ACTIVITY OF TH HOUSE-CLEANING INOSINE TRIPHOSPHATE PYROPHOSPHATASE FROM ESCHERICHIA COLI. J.MOL.BIOL. V. 374 1091 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:600;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
IMP A:3036;
Valid;
none;
submit data
348.206 C10 H13 N4 O8 P c1nc2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PYU 2.02 Å EC: 3.6.1.19 STRUCTURE OF THE E. COLI INOSINE TRIPHOSPHATE PYROPHOSPHATAS COMPLEX WITH IMP ESCHERICHIA COLI ITP PYROPHOSPHATASE X-RAY STRUCTURE ENZYME MECHANISM PRODUCTHYDROLASE
Ref.: MOLECULAR BASIS OF THE ANTIMUTAGENIC ACTIVITY OF TH HOUSE-CLEANING INOSINE TRIPHOSPHATE PYROPHOSPHATASE FROM ESCHERICHIA COLI. J.MOL.BIOL. V. 374 1091 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2PYU - 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 4 families.
1 2PYU - IMP C10 H13 N4 O8 P c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2PYU - IMP C10 H13 N4 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IMP; Similar ligands found: 77
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 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 GSP 0.463918 0.910256
28 9GM 0.463918 0.934211
29 GNP 0.463918 0.934211
30 A 0.458824 0.90411
31 1RB 0.458824 0.847222
32 AMP 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 GDD 0.447619 0.922078
40 GDC 0.447619 0.922078
41 IMO 0.443182 0.890411
42 7RA 0.443182 0.891892
43 P2P 0.443182 0.864865
44 AAM 0.443182 0.90411
45 FAI 0.443182 0.90411
46 RMB 0.443182 0.835616
47 JLN 0.443182 0.90411
48 G2R 0.441176 0.922078
49 G7M 0.43956 0.934211
50 6MZ 0.438202 0.891892
51 XMP 0.438202 0.932432
52 IRN 0.435897 0.830986
53 Y9Z 0.433962 0.865854
54 71V 0.433333 0.825
55 PMO 0.433333 0.813333
56 GDP ALF 0.431373 0.875
57 GDP AF3 0.431373 0.875
58 ALF GDP 0.431373 0.875
59 GKD 0.431193 0.922078
60 JB2 0.431193 0.922078
61 GDR 0.429907 0.922078
62 GFB 0.429907 0.922078
63 6CK 0.425926 0.898734
64 G3A 0.425926 0.934211
65 YGP 0.424528 0.8875
66 G5P 0.422018 0.934211
67 PGS 0.419355 0.825
68 GTG 0.416667 0.898734
69 RVP 0.416667 0.837838
70 GDX 0.414414 0.934211
71 GUO 0.41 0.931507
72 GMP 0.406977 0.84
73 U2G 0.405172 0.898734
74 2SA 0.40404 0.894737
75 G G 0.40367 0.934211
76 6C6 0.402062 0.846154
77 GPD 0.401786 0.8875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PYU; Ligand: IMP; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2pyu.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2MJP ANP 47.1503
Pocket No.: 2; Query (leader) PDB : 2PYU; 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: 2pyu.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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