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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 (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4LHM Ki = 0.68 mM AZZ C10 H13 N5 O4 CC1=CN(C(=....
2 4YYY - URI C9 H12 N2 O6 C1=CN(C(=O....
3 1BRW - URA C4 H4 N2 O2 C1=CNC(=O)....
4 2WK6 Ki = 0.48 mM IUR C4 H3 I N2 O2 C1=C(C(=O)....
5 2J0F - TDR C5 H6 N2 O2 CC1=CNC(=O....
6 1UOU Ki = 20 nM CMU C9 H11 Cl N4 O2 [H]/N=C1/C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: URA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 URA 1 1
2 TUL 0.5 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1BRW; Ligand: URA; Similar sites found with APoc: 112
This union binding pocket(no: 1) in the query (biounit: 1brw.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 3CV2 COA 1.38568
3 5MWY YNU 1.63934
4 2WUF KEM 1.71821
5 5HCV 60R 1.94553
6 2A3I C0R 1.97628
7 3KO0 TFP 1.9802
8 6AM8 PLT 2.0202
9 5WA0 MSS 2.19178
10 5WGD EST 2.29885
11 5DX3 EST 2.29885
12 2E5A LAQ 2.30548
13 1HG4 LPP 2.30947
14 4LSJ LSJ 2.32558
15 4X6X S74 2.38095
16 5GVL GI8 2.54042
17 5GVL PLG 2.54042
18 4XYM A12 2.54042
19 3KU0 ADE 2.78884
20 5WRI A3P 2.8125
21 5CGE 51F 2.88809
22 5WRJ A3P 2.9703
23 4X28 FDA 3
24 1EC9 XYH 3.00231
25 1P0H COA 3.14465
26 3KP6 SAL 3.31126
27 5KY3 GFB 3.38028
28 5KXQ GDP 3.38983
29 1G2N EPH 3.40909
30 2R40 EPH 3.42205
31 3RY9 1CA 3.6
32 1XTT U5P 3.7037
33 1BKJ FMN 3.75
34 1YP0 PEF 3.76569
35 1XMY ROL 3.76884
36 4KBY C2E 3.86473
37 1A8R GTP 4.0724
38 4QJR PIZ 4.08163
39 2CDC XYP 4.09836
40 5CYV WCA 4.10959
41 3LOO B4P 4.10959
42 1ZDT PEF 4.14938
43 3KMZ EQO 4.15704
44 2WYA HMG 4.15704
45 2FHF GLC GLC GLC GLC 4.15704
46 3GWT 066 4.24929
47 5ECP ATP 4.38799
48 1TMX HGX 4.43686
49 6DXL HG4 4.71204
50 2FP2 TSA 4.81928
51 2GTE VA 4.83871
52 1KZN CBN 4.87805
53 5N7O 69Y 4.97738
54 6F8B CXH 4.98339
55 5KOK S9T 5.03778
56 1DL5 SAH 5.04732
57 3ZLR X0B 5.06329
58 2YI0 YI0 5.24017
59 1W96 S1A 5.31178
60 5X80 SAL 5.625
61 3LE7 ADE 5.74713
62 5EY9 5SV 5.77367
63 5XNA SHV 5.7971
64 4TMN 0PK 6.01266
65 3X44 PUS 6.0241
66 5TK8 7D5 6.18557
67 5H2D ERG 6.46651
68 6AYI C3G 6.53266
69 1SR7 MOF 6.56371
70 4OAR 2S0 6.58915
71 2VHJ ADP 6.64653
72 1S17 GNR 6.66667
73 5JE0 SAH 6.88259
74 5JE0 AZ8 6.88259
75 4AZW SAM 6.92841
76 4XF6 ADP 6.95971
77 4XF6 LIP 6.95971
78 4XF6 INS 6.95971
79 3MBG FAD 7.19424
80 1ZDU P3A 7.34694
81 4YHB FAD 7.69231
82 2RHO GSP 7.69231
83 3H2B SAH 7.88177
84 3O55 FAD 8
85 4UOX PLP PUT 8.08314
86 5OLK DTP 8.13953
87 6BXL SAM 8.46561
88 5CFT APC 8.64865
89 5CFT 51G 8.64865
90 1T0S BML 9.30233
91 4M8E 29V 9.52381
92 4POJ 2VP 9.52381
93 3RET PYR 9.90099
94 3RET SAL 9.90099
95 5CSD ACD 10.0629
96 1YYE 196 10.8209
97 2I0G I0G 11.284
98 2YPO PHE 11.7783
99 4J24 EST 12.0833
100 4J26 EST 12.0833
101 3EPO MP5 12.4711
102 4QTU SAM 12.5926
103 5UFN SAH 13.0252
104 3TTZ 07N 14.6465
105 1VLH PNS 15.6069
106 3QLM PLM 16.9355
107 1IUP ALQ 17.7305
108 2JFN UMA 19.6491
109 3OU2 SAH 22.9358
110 4DM8 REA 28
111 1YMT DR9 35.7143
112 1YUC EPH 42.8571
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