Receptor
PDB id Resolution Class Description Source Keywords
1BRW 2.1 Å EC: 2.4.2.2 THE CRYSTAL STRUCTURE OF PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE IN A CLOSED CONFORMATION GEOBACILLUS STEAROTHERMOPHILUS NUCLEOSIDE PHOSPHORYLASE DOMAIN MOVEMENT TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE IN A CLOSED CONFORMATION. STRUCTURE V. 6 1467 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:3001;
B:3002;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MES A:6002;
B:6001;
Invalid;
Invalid;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
PO4 A:2001;
B:2002;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
URA B:5001;
Valid;
none;
submit data
112.087 C4 H4 N2 O2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1BRW 2.1 Å EC: 2.4.2.2 THE CRYSTAL STRUCTURE OF PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE IN A CLOSED CONFORMATION GEOBACILLUS STEAROTHERMOPHILUS NUCLEOSIDE PHOSPHORYLASE DOMAIN MOVEMENT TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE IN A CLOSED CONFORMATION. STRUCTURE V. 6 1467 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1BRW - URA C4 H4 N2 O2 C1=CNC(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1BRW - URA C4 H4 N2 O2 C1=CNC(=O)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4LHM Ki = 0.68 mM AZZ C10 H13 N5 O4 CC1=CN(C(=....
2 1BRW - URA C4 H4 N2 O2 C1=CNC(=O)....
3 2WK6 Ki = 0.48 mM IUR C4 H3 I N2 O2 C1=C(C(=O)....
4 2J0F - TDR C5 H6 N2 O2 CC1=CNC(=O....
5 1UOU Ki = 20 nM CMU C9 H11 Cl N4 O2 [H]N=C1CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: URA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 URA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1BRW; Ligand: URA; Similar sites found: 62
This union binding pocket(no: 1) in the query (biounit: 1brw.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4GA6 AMP 5.102e-06 0.59044
2 2JFN UMA 0.0007227 0.47338
3 3KO0 TFP 0.0006181 0.47143
4 3KO0 TFP 0.0007227 0.46676
5 1P0H COA 0.01832 0.44865
6 3KO0 TFP 0.001501 0.44699
7 3KO0 TFP 0.001537 0.44555
8 3KO0 TFP 0.00184 0.44183
9 1KZN CBN 0.007332 0.42956
10 1SR7 MOF 0.01618 0.42925
11 2CDC XYP 0.04347 0.4285
12 3RET PYR 0.005978 0.42776
13 3RET SAL 0.005978 0.42776
14 4NDA NIY 0.01325 0.42463
15 4OAR 2S0 0.01054 0.4246
16 3DBK RDF 0.01039 0.42158
17 2GTE VA 0.01357 0.42134
18 2GTE VA 0.01484 0.42063
19 1YMT DR9 0.02092 0.41791
20 4MOB COA 0.01888 0.41666
21 4TMN 0PK 0.01681 0.41635
22 1G2N EPH 0.01998 0.41373
23 3CV2 COA 0.00845 0.41351
24 3LOO B4P 0.0349 0.41334
25 3CV2 COA 0.008611 0.41292
26 3KMZ EQO 0.02762 0.41133
27 3KMZ EQO 0.02762 0.41133
28 3TTZ 07N 0.01033 0.41086
29 2E5A LAQ 0.02835 0.41085
30 2B1Z 17M 0.03154 0.41023
31 1DL5 SAH 0.02828 0.4101
32 4LSJ LSJ 0.02083 0.40984
33 4LSJ LSJ 0.02083 0.40984
34 1W96 S1A 0.01812 0.40978
35 3TTZ 07N 0.01022 0.40888
36 3KU0 ADE 0.0105 0.40707
37 1W96 S1A 0.01923 0.4066
38 3MBG FAD 0.03098 0.40653
39 2FP2 TSA 0.02085 0.40634
40 4DM8 REA 0.02701 0.40624
41 3LE7 ADE 0.01081 0.40585
42 4J24 EST 0.01575 0.40534
43 1T7M DHT 0.02252 0.40492
44 4J24 EST 0.01623 0.40462
45 4J24 EST 0.01643 0.40439
46 3KU0 ADE 0.01175 0.40438
47 2RHO GSP 0.0305 0.4039
48 1W96 S1A 0.02344 0.40384
49 2WYA HMG 0.04478 0.40353
50 2WYA HMG 0.04503 0.40342
51 3EPO MP5 0.0241 0.40294
52 1HMR ELA 0.02874 0.40294
53 2A3I C0R 0.02921 0.40239
54 4J24 EST 0.01807 0.40224
55 4POJ 2VP 0.03221 0.40171
56 3MBG FAD 0.03822 0.40164
57 3O55 FAD 0.03844 0.40147
58 3UUD EST 0.02067 0.40104
59 3UUD EST 0.02067 0.40104
60 2HQU DUP 0.0291 0.40103
61 4AZW SAM 0.02705 0.40092
62 1VLH PNS 0.02774 0.40038
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