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Receptor
PDB id Resolution Class Description Source Keywords
1VCO 2.15 Å EC: 6.3.4.2 CRYSTAL STRUCTURE OF T.TH. HB8 CTP SYNTHETASE COMPLEX WITH GLUTAMINE THERMUS THERMOPHILUS TETRAMER RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS LIGASE
Ref.: CRYSTAL STRUCTURES OF CTP SYNTHETASE REVEAL ATP, UTP, AND GLUTAMINE BINDING SITES STRUCTURE V. 12 1413 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLN A:610;
Valid;
none;
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146.144 C5 H10 N2 O3 C(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VCO 2.15 Å EC: 6.3.4.2 CRYSTAL STRUCTURE OF T.TH. HB8 CTP SYNTHETASE COMPLEX WITH GLUTAMINE THERMUS THERMOPHILUS TETRAMER RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS LIGASE
Ref.: CRYSTAL STRUCTURES OF CTP SYNTHETASE REVEAL ATP, UTP, AND GLUTAMINE BINDING SITES STRUCTURE V. 12 1413 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VCO - GLN C5 H10 N2 O3 C(CC(=O)N)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VCO - GLN C5 H10 N2 O3 C(CC(=O)N)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ZDJ - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
2 1VCO - GLN C5 H10 N2 O3 C(CC(=O)N)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLN; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 GLN 1 1
2 DGN 1 1
3 GGL 0.62963 0.821429
4 GLU 0.62963 0.821429
5 DGL 0.62963 0.821429
6 ONL 0.586207 0.741935
7 HGA 0.53125 0.75
8 DAB 0.518519 0.65625
9 HSE 0.518519 0.6875
10 MEQ 0.515152 0.870968
11 API 0.5 0.793103
12 NVA 0.5 0.666667
13 HCS 0.5 0.645161
14 ASN 0.481481 0.833333
15 UN1 0.46875 0.793103
16 11C 0.46875 0.793103
17 ABA 0.461538 0.62069
18 DBB 0.461538 0.62069
19 ORN 0.451613 0.677419
20 C2N 0.444444 0.6
21 NPI 0.441176 0.766667
22 NLE 0.4375 0.625
23 26P 0.428571 0.71875
24 ASP 0.428571 0.7
25 DAS 0.428571 0.7
26 3GC 0.425 0.794118
27 DLY 0.424242 0.65625
28 DHH 0.411765 0.709677
29 LYS 0.411765 0.636364
30 BGT 0.405405 0.685714
31 2NP 0.405405 0.611111
32 AS2 0.4 0.75
33 3O3 0.4 0.666667
34 ONH 0.4 0.605263
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VCO; Ligand: GLN; Similar sites found with APoc: 113
This union binding pocket(no: 1) in the query (biounit: 1vco.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2XOC ADE 1.53257
2 1GTE IUR 1.63636
3 1GTE FMN 1.63636
4 2GVC FAD 1.78971
5 5THQ NDP 1.83824
6 1REO FAD 1.85185
7 1K97 CIR 1.97802
8 1K97 ASP 1.97802
9 5N0J FAD 1.9943
10 5TS5 FAD 2.06612
11 5NUF NAD 2.10843
12 5NUE NAD 2.10843
13 3OJO NAD 2.32019
14 1SFF IK2 2.34742
15 5BJX UDP 2.36364
16 5BJX NAD 2.36364
17 5G3U FDA 2.36407
18 5G3U ITW 2.36407
19 3L9W AMP 2.42131
20 5CXX FER 2.54545
21 1HYH NAD 2.589
22 1IXE COA 2.65252
23 6CEP NAD 2.69461
24 1GAD NAD 2.72727
25 2E5V FAD 2.75424
26 5ZZ6 NAD 2.88462
27 4POW OP1 3.01887
28 5ZRR 9J3 3.01887
29 1VQW FAD 3.06346
30 3WGT FAD 3.17003
31 3WGT QSC 3.17003
32 4TQK NAG 3.20197
33 1V97 MTE 3.27273
34 4XB2 HSE 3.28358
35 4XB2 NDP 3.28358
36 3LAD FAD 3.36134
37 1I36 NAP 3.40909
38 5UR0 NAD 3.4384
39 1WDK NAD 3.45455
40 1V59 FAD 3.55649
41 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 3.58209
42 2VYN NAD 3.59281
43 3WDM ADN 3.63636
44 1KEV NDP 3.7037
45 4C2G ALA ALA ALA ALA 3.81166
46 1GQ2 NAP 3.81818
47 4NTD FAD 3.82353
48 3QV1 NAD 4.1543
49 5AYV NAP 4.20712
50 4IY7 KOU 4.28212
51 4IY7 0JO 4.28212
52 5HC0 NPO 4.38356
53 3B1F NAD 4.48276
54 3LZW NAP 4.51807
55 2ZL4 ALA ALA ALA ALA 4.59184
56 1MV8 NAD 4.81651
57 1MUU NAD 4.81651
58 2BHZ MAL 4.90909
59 1ORR NAD 4.90909
60 3GD8 GOL 4.93274
61 1FIQ SAL 5.14286
62 1FIQ MTE 5.14286
63 5NMX FAD 5.17647
64 4UP4 GAL NAG 5.23691
65 3NBC LAT 5.40541
66 5MB4 NAG 5.48628
67 1KOR SIN 5.5
68 4Q4K FMN 5.60224
69 4UHF BUA 5.67376
70 3AXB PRO 5.80357
71 3AXB FAD 5.80357
72 3F8D FAD 5.88235
73 3NRZ MTE 5.90164
74 3NRZ HPA 5.90164
75 5U8U FAD 6.02911
76 3HRD MCN 6.06061
77 6F3M NAD 6.08696
78 2RHW C0E 6.18182
79 3BP1 GUN 6.2069
80 2A92 NAI 6.23053
81 2PT9 S4M 6.23053
82 5X9D 80F 6.57895
83 4G9E C4L 6.81004
84 5UAV NDP 7.14286
85 5UAV TFB 7.14286
86 6A4R ASP 7.16981
87 1GPM CIT 7.2381
88 4NTO 1PW 7.24638
89 1H8P PC 7.33945
90 4L8F MTX 7.69231
91 3CIF NAD 7.79944
92 3CIF G3H 7.79944
93 4KXL 6C6 7.89474
94 3G5D 1N1 8.04196
95 5G3L SIA 8.08081
96 5DUF G7A 8.36502
97 3NCQ ATP 8.40336
98 2NV2 GLN 8.82353
99 4J4H NAI 8.88031
100 4J4H 1J1 8.88031
101 4RSL FAD 9.21348
102 1J49 NAD 9.60961
103 4E5N NAD 10.9091
104 2J9C ATP 10.9244
105 3AD8 NAD 11.1111
106 1SQL GUN 12.3288
107 1LDN NAD 12.6582
108 2DT5 NAD 12.7962
109 1JNR FAD 13.3333
110 4JNA FAD 14.7059
111 5IDM ANP 17.8771
112 4YSX FAD 21.8085
113 3B1J NAD 24
Pocket No.: 2; Query (leader) PDB : 1VCO; Ligand: GLN; 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: 1vco.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1VCO; Ligand: GLN; 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: 1vco.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1VCO; Ligand: GLN; 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: 1vco.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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