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Receptor
PDB id Resolution Class Description Source Keywords
1ZFJ 1.9 Å EC: 1.1.1.205 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH; EC 1.1.1.205) FR STREPTOCOCCUS PYOGENES STREPTOCOCCUS PYOGENES IMPDH DEHYDROGENASE CBS DOMAINS OXIDOREDUCTASE
Ref.: CHARACTERISTICS AND CRYSTAL STRUCTURE OF BACTERIAL INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE. BIOCHEMISTRY V. 38 4691 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMP A:500;
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
1ZFJ 1.9 Å EC: 1.1.1.205 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH; EC 1.1.1.205) FR STREPTOCOCCUS PYOGENES STREPTOCOCCUS PYOGENES IMPDH DEHYDROGENASE CBS DOMAINS OXIDOREDUCTASE
Ref.: CHARACTERISTICS AND CRYSTAL STRUCTURE OF BACTERIAL INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE. BIOCHEMISTRY V. 38 4691 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1ZFJ - 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 9 families.
1 1ZFJ - 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 1ZFJ - 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 : 1ZFJ; 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: 1zfj.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1ZFJ; 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: 1zfj.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1ZFJ; 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: 1zfj.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1ZFJ; 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: 1zfj.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1ZFJ; 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: 1zfj.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1ZFJ; Ligand: IMP; Similar sites found with APoc: 173
This union binding pocket(no: 6) in the query (biounit: 1zfj.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5MZN ADP 1.222
2 1YY5 FAD 1.222
3 1RSG FAD 1.222
4 1RZM E4P 1.47929
5 2GK6 ADP 1.62933
6 5TS5 FAD 1.65289
7 1H82 GZZ 1.69492
8 1H82 FAD 1.69492
9 2VVL FAD 1.83299
10 2VVM FAD 1.83299
11 4U8P UDP 1.83299
12 4U8P FDA 1.83299
13 1F9V ADP 2.01729
14 4MIG G3F 2.03666
15 5HJQ I3P 2.12766
16 3GXO SAH 2.16802
17 1UH4 GLC 2.24033
18 2WHX ADP 2.24033
19 6F97 FAD 2.24033
20 2XT3 ADP 2.32558
21 2OO0 PLP 2.33546
22 2AWN ADP 2.3622
23 5C9P FUC 2.3622
24 5MW4 5JU 2.39521
25 3QVP FAD 2.44399
26 4MOP 2H5 2.44399
27 3HDY FAD 2.51889
28 1OVD ORO 2.57235
29 1OVD FMN 2.57235
30 1OFD FMN 2.64766
31 1KYA XYD 2.64766
32 1OFD AKG 2.64766
33 4WAS NAP 2.74725
34 4YMZ 13P 2.78884
35 6BVE PGA 2.85714
36 3B0P FMN 2.85714
37 1M5W DXP 2.88066
38 5BSH PRO 2.88809
39 3DC4 ADP 2.90698
40 5OKU 0L1 3.05499
41 2IID PHE 3.05499
42 2IID FAD 3.05499
43 2ZUX RAM 3.05499
44 3FPZ AHZ 3.06748
45 2BTM PGA 3.1746
46 2YPI PGA 3.23887
47 1I8T FAD 3.26975
48 1JNR FAD 3.33333
49 5XH2 NPO 3.43511
50 6HKE LMR 3.45912
51 3JYY PPV 3.46232
52 4CW5 FMN 3.52423
53 2ZRU FMN 3.53261
54 5OC1 FAD 3.66599
55 4PPF FLC 3.71429
56 4XFR CIT 3.74707
57 1YRB GDP 3.81679
58 4GUS FAD 3.86965
59 4FWE FAD 3.86965
60 4HSU FAD 3.86965
61 4GUT FAD 3.86965
62 2XTZ GSP 3.9548
63 3WGT FAD 4.03458
64 3HSS MLA 4.09556
65 2OG2 MLI 4.17827
66 1TL2 NDG 4.23729
67 4RPL FAD 4.26065
68 4DSG FAD 4.33884
69 5TCI MLI 4.39024
70 1LYX PGA 4.43548
71 1BH2 GSP 4.44444
72 4HA6 FAD 4.48065
73 5L6G XYP 4.48065
74 4RKX 3S9 4.5977
75 2J5V PCA 4.63215
76 1Y1P NMN AMP PO4 4.67836
77 1JG3 ADN 4.68085
78 1P7T PYR 4.68432
79 3GLC R5P 4.74576
80 5XFV FMN 4.79042
81 1TRD PGH 4.8
82 1SW0 PGA 4.83871
83 5TTJ FAD 4.89796
84 5Z3I ADE 4.90566
85 2FJK 13P 4.91803
86 5A5W GUO 5.13834
87 2OFW ADX 5.28846
88 3X0V FAD 5.29532
89 1JCM 137 5.40541
90 1CX9 NHP 5.54156
91 2F6U CIT 5.55556
92 3CV6 NAP 5.57276
93 3CV6 HXS 5.57276
94 5OFI 9TQ 5.7377
95 4WZ6 ATP 5.86207
96 5YB7 FAD 5.90631
97 5YB7 ORN 5.90631
98 4IGH ORO 5.91398
99 4IGH FMN 5.91398
100 4IGH 1EA 5.91398
101 3QXQ CE5 5.91549
102 4UAP NGA 5.92105
103 2Z3Y F2N 6.10998
104 3HQP OXL 6.31365
105 3TAO PGH 6.36704
106 2GJN NIS 6.40244
107 2GJN FMN 6.40244
108 4USI AKG 6.49351
109 3BW2 FMN 6.50407
110 2PZE ATP 6.55022
111 6BKA FMN 6.68449
112 5EYW PGA 6.82731
113 1XXR MAN 6.8323
114 1QO8 FAD 7.12831
115 2Z6J FMN 7.22892
116 2Z6I FMN 7.22892
117 2VSU ACO 7.24638
118 3OIX FMN 7.24638
119 2VSS ACO 7.24638
120 5TWB FAD 7.26744
121 2HYQ MAN MAN 7.37705
122 2NUO BGC 7.37705
123 5ZZO FLC 7.46269
124 2WTN FER 7.56972
125 1GVF PGH 7.69231
126 2FLI DX5 7.72727
127 1Y2W NAG 7.74648
128 3H4S ADP 7.77202
129 4FRZ ADP 7.77202
130 5GJO PLP 7.86802
131 4Q4K FMN 8.12325
132 1TV5 FMN 8.12641
133 4BI7 PGA 8.17121
134 5CGE 51F 8.30325
135 3B9Q MLI 8.60927
136 4NAE 1GP 8.88889
137 4ORM ORO 8.97756
138 4ORM FMN 8.97756
139 4ORM 2V6 8.97756
140 2Y88 2ER 9.01639
141 1OYF MHN 9.09091
142 2OFD NGA 9.85915
143 2OFE NAG 9.85915
144 3KIH GDL 10.3093
145 1EP2 ORO 10.3448
146 5A7V MAN 10.567
147 5A7V BMA 10.567
148 3C3N FMN 10.5769
149 2YG3 FAD 10.596
150 4WZH FMN 10.6628
151 1G7C 5GP 11.7021
152 4RDH AMP 11.8056
153 4Z2S NAG 11.9718
154 4Z2S NDG 11.9718
155 1US5 GLU 12.1019
156 1FDJ 13P 12.1212
157 5C2N NAG 12.5
158 3MJY FMN 12.7168
159 3MJY IJZ 12.7168
160 2ODE ALF GDP 12.766
161 1P4C FMN 13.1579
162 5CSS G3P 13.7168
163 1Q6O LG6 13.8889
164 4JEJ 1GP 14.3443
165 5GVH FMN 14.6497
166 2NV2 GLN 15.1961
167 2BOS GLA GAL GLC 19.1176
168 2BOS GLA GAL GLC NBU 19.1176
169 3QH2 3NM 22.1719
170 4EWN 0VR 23.7154
171 2BLE 5GP 34.6049
172 2C6Q IMP 36.7521
173 2C6Q NDP 36.7521
Pocket No.: 7; Query (leader) PDB : 1ZFJ; 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: 1zfj.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1ZFJ; 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: 1zfj.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1ZFJ; Ligand: IMP; Similar sites found with APoc: 3
This union binding pocket(no: 9) in the query (biounit: 1zfj.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3LRE ADP 2.53521
2 2HSA FMN 3.23383
3 3WXL ADP 4.27699
Pocket No.: 10; Query (leader) PDB : 1ZFJ; 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: 10) in the query (biounit: 1zfj.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1ZFJ; 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: 11) in the query (biounit: 1zfj.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1ZFJ; 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: 12) in the query (biounit: 1zfj.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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