-->
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...
View in 3D viewer
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: 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 : 2PYU; Ligand: IMP; Similar sites found with APoc: 46
This union binding pocket(no: 1) in the query (biounit: 2pyu.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 SRO None
2 1I8T FAD 1.82648
3 2C1X UDP 1.82648
4 5UC4 83S 1.82648
5 6G28 AR6 2.28311
6 2BJK NAD 2.73973
7 5F5R ANP 3.19635
8 4AVO BGC BGC BGC BGC BGC BGC 3.65297
9 3IHG FAD 3.65297
10 4UTG ANP 3.75723
11 3D36 ADP 4.56621
12 4XFR CIT 4.56621
13 2ZWI C5P 5.47945
14 6F3M NAD 5.47945
15 4IXH IMP 5.47945
16 3SDV 911 5.47945
17 1DJL NAP 5.7971
18 3IAE D7K 5.93607
19 2UZ1 TPP 5.93607
20 6D28 NEC 5.93607
21 4XCL AGS 5.93607
22 2OOR TXP 6.32184
23 4LZJ 22H 6.39269
24 6G1P CIT 6.39269
25 4G6I RS3 6.66667
26 4IVG ANP 6.84932
27 4IPE ANP 6.84932
28 5NM7 GLY 7.14286
29 3RDO BTN 8.49673
30 1FL2 FAD 8.6758
31 2IHK CSF 8.6758
32 1QPG 3PG 9.13242
33 4V3C C 9.13242
34 1QPG MAP 9.13242
35 2R5T ANP 9.13242
36 1H74 ILE 9.7973
37 4OKZ 3E9 10.0457
38 2IOR ADP 10.0457
39 2C6Q IMP 10.0457
40 2O1V ADP 12.3288
41 3ZZQ TRP 13.8462
42 5UAV NDP 14.1553
43 5UAV TFB 14.1553
44 4PFC 2QX 15.0685
45 3EJR HN4 23.2877
46 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
APoc FAQ
Feedback