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Receptor
PDB id Resolution Class Description Source Keywords
1P4A 2.22 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE PURR COMPLEXED WITH CPRPP BACILLUS SUBTILIS TRANSCRIPTION
Ref.: FUNCTIONAL DISSECTION OF THE BACILLUS SUBTILIS PUR SITE. J.BACTERIOL. V. 185 4099 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PCP A:604;
B:605;
C:606;
D:607;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
388.097 C6 H15 O13 P3 C1[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P4A 2.22 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE PURR COMPLEXED WITH CPRPP BACILLUS SUBTILIS TRANSCRIPTION
Ref.: FUNCTIONAL DISSECTION OF THE BACILLUS SUBTILIS PUR SITE. J.BACTERIOL. V. 185 4099 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 1P4A - PCP C6 H15 O13 P3 C1[C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 1P4A - PCP C6 H15 O13 P3 C1[C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1P4A - PCP C6 H15 O13 P3 C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PCP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PCP 1 1
2 CAK 0.442308 0.894737
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P4A; Ligand: PCP; Similar sites found with APoc: 126
This union binding pocket(no: 1) in the query (biounit: 1p4a.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2PWY SAH None
2 4JCA CIT None
3 5O0Z 9GB None
4 4A22 TD4 1.40351
5 2WE5 ADP 1.40351
6 4C1K PEP 1.52672
7 2AWN ADP 1.75439
8 4PPF FLC 2.10526
9 5THY SAH 2.10526
10 5UBG PRT 2.21239
11 2G50 ALA 2.45614
12 1GVF PGH 2.45614
13 3ITJ CIT 2.45614
14 4MOB ADP 2.45614
15 3N9R TD3 2.45614
16 1JG3 ADN 2.55319
17 1DQN IMU 2.6087
18 3B6R CRN 2.80702
19 6BS6 GLC GLC GLC 2.83582
20 1C3V PDC 2.85714
21 1Q0S SAH 3.0888
22 5JDA AMP 3.15789
23 1D6S MET PLP 3.15789
24 1ZX5 LFR 3.15789
25 1D6S PLP MET 3.15789
26 1QAN SAH 3.27869
27 3A4T SFG 3.28467
28 3C3Y SAH 3.37553
29 3W6X HZP 3.49345
30 1G6H ADP 3.50195
31 1UWK URO 3.50877
32 1UWK NAD 3.50877
33 1E19 ADP 3.50877
34 4HNN LYS 3.50877
35 4XOE KGM 3.58423
36 3W68 PBU 3.7594
37 5CAD PCA 3.85965
38 1LCF OXL 3.85965
39 4WZ6 ATP 3.85965
40 5WKC FAD 3.85965
41 1G8S MET 3.91304
42 3GD8 GOL 4.03587
43 1XTT U5P 4.16667
44 4Z7X 3CX 4.20168
45 5MW4 5JU 4.21053
46 1H74 ADP 4.21053
47 3TFC PEP 4.21053
48 1JG0 UMP 4.54545
49 5VJE GOS 4.5614
50 3SSO SAH 4.5614
51 2PZE ATP 4.80349
52 1DL5 SAH 4.91228
53 3GDH SAH 4.97925
54 3MB5 SAM 5.09804
55 1XCL SAH 5.10638
56 2D2F ADP 5.2
57 2CXG GLC GLC 5.26316
58 3G6M CFF 5.26316
59 5ME4 HP4 5.47445
60 6APV 3L4 5.55556
61 3HUN ZZ7 5.61404
62 3VC3 C6P 5.61404
63 6FA4 D1W 5.78035
64 3MBI HSX 5.96491
65 3COW 52H 5.96491
66 1P1C SAH 6.03015
67 4XZ3 ACP 6.08696
68 2F5Z FAD 6.25
69 3HVJ 705 6.33484
70 2DPM SAM 6.33803
71 5GVR LMR 6.41026
72 1IK4 PGH 6.57895
73 1VRP IOM 6.66667
74 2UZ1 TPP 6.66667
75 5KVA SAM 6.66667
76 2HXW FLC 6.75105
77 3FYP PEP 6.78571
78 3OZG SSI 7.2
79 4RHY 3QG 7.46269
80 1QK3 5GP 7.72532
81 3LN9 FLC 7.91367
82 4Z1D PEP 7.97101
83 3W8X FTK 8.07018
84 3W8X FAD 8.07018
85 3P7I P7I 8.42105
86 1RZM PEP 8.42105
87 2DKD NG1 8.77193
88 4GYS MLI 9.12281
89 4P83 U5P 9.34066
90 2B7N NTM 9.52381
91 3KL3 GCU 9.82456
92 3ACC 5GP 9.94475
93 3H55 GLA 10.1754
94 1UPF URF 10.2679
95 1HGX 5GP 10.3825
96 1O5O U5P 10.4072
97 1P19 IMP 10.4072
98 2JBH 5GP 10.6667
99 5OKU 0L1 10.8772
100 4P86 5GP 12.0219
101 2HNK SAH 12.1339
102 6AR9 3L4 12.5
103 1PZM 5GP 12.7962
104 6BYF CIT 13.5294
105 1XX6 ADP 13.6126
106 1BZY IMU 14.2857
107 4FMS BDP 14.7368
108 1QPR PHT 14.7887
109 2JKY 5GP 15.0235
110 1QHO MAL 15.4386
111 1QB7 ADE 16.1017
112 2FWP CIT 16.9399
113 2FWP ICR 16.9399
114 4JLS 3ZE 18.4211
115 2PS1 PRP 19.9115
116 2PS1 ORO 19.9115
117 1MZV AMP 23.8298
118 1LH0 PRP 24.8826
119 1LH0 ORO 24.8826
120 5VJN ADE 25.6684
121 5VJN IR8 25.6684
122 1LSS NAD 26.4286
123 1L1Q 9DA 29.0323
124 6FCH PRP 29.2135
125 2FXV 5GP 36.0825
126 5YW5 ADE 37.9888
Pocket No.: 2; Query (leader) PDB : 1P4A; Ligand: PCP; Similar sites found with APoc: 33
This union binding pocket(no: 2) in the query (biounit: 1p4a.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4CM4 4NR 1.75439
2 2D3Y DU 1.82648
3 1RYO OXL 2.10526
4 4B2D SER 2.10526
5 4BQS K2Q 2.27273
6 4ONC 40B 2.8169
7 4U00 ADP 2.86885
8 1RDL MMA 3.53982
9 3JU6 ARG 3.85965
10 4LA7 A1O 4.14508
11 1L3I SAH 4.16667
12 3KVY R2B 4.21053
13 2A9W UMP 4.54545
14 2OG2 MLI 4.5614
15 6CGZ HL6 4.60993
16 4WVO 3UZ 6.07735
17 4UFH GIF 6.66667
18 1X9I G6Q 6.66667
19 4ZE0 VOR 7.01754
20 4J0Q GDP 7.01754
21 4ZDM GLY 7.27969
22 3D36 ADP 7.37705
23 4GK9 MAN BMA MAN MAN MAN 7.52688
24 1BCJ NGA 8.44156
25 4YKI GLY 8.98438
26 3AB4 LYS 8.98876
27 3AB4 THR 8.98876
28 5DEX GLY 9.82456
29 3JRS A8S 11.0577
30 5G6U YJM 11.4943
31 4KFU ACP 12.2642
32 4D04 FAD 14.0351
33 4D04 NAP 14.0351
Pocket No.: 3; Query (leader) PDB : 1P4A; Ligand: PCP; Similar sites found with APoc: 27
This union binding pocket(no: 3) in the query (biounit: 1p4a.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3F81 STT 1.63934
2 5JCJ 6JM 1.75439
3 5C9P FUC 2.10526
4 4TQK NAG 2.10526
5 4J7U YTZ 2.10526
6 4J7U NAP 2.10526
7 1U6R IOM 2.45614
8 5E4R NAP 2.45614
9 1W3T 3GR 3.85965
10 3TK1 GDP 3.85965
11 5BSH PRO 3.97112
12 4X1B MLI 4.21053
13 3HP8 SUC 4.54545
14 2YAJ 4HP 4.91228
15 2X2T GAL NGA 5.22876
16 3DDN HPV 5.26316
17 4NS0 PIO 5.26316
18 5JIB OIA 5.26316
19 5UR6 8KM 5.52486
20 3EYA FAD 5.61404
21 1M5B BN1 6.08365
22 5D9O BGC BGC BGC BGC 8.07018
23 3GP3 SEP 8.17121
24 4WOH 4NP 9.03614
25 1LTT GAL BGC 9.72973
26 5TP0 BRN 10.2679
27 5M45 AMP 12.5
Pocket No.: 4; Query (leader) PDB : 1P4A; Ligand: PCP; Similar sites found with APoc: 28
This union binding pocket(no: 4) in the query (biounit: 1p4a.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5C2N NAG None
2 6HKE LMR 2.45614
3 6HKE MLT 2.45614
4 1H65 GDP 2.59259
5 4CNG SAH 2.7451
6 1N4K I3P 2.80702
7 4XB2 HSE 2.80702
8 2Y88 2ER 3.27869
9 5DK4 5BX 3.50877
10 5DK4 ATP 3.50877
11 5AB1 BCD TA5 HP6 MAN 3.50877
12 4XQC 13D 3.85965
13 2XMY CDK 4.21053
14 1F0X FAD 4.5614
15 2FKA BEF 4.65116
16 4YNU FAD 4.91228
17 4YNU LGC 4.91228
18 2WQ4 SFU 5.12821
19 5YRJ BGC GLC 6.33803
20 5YRG BGC GLC 6.33803
21 2B6N ALA PRO THR 6.83453
22 1J3I UMP 7.14286
23 6FOG OXL 7.58929
24 2NZ2 ASP 7.99031
25 1V6A TRE 9.63855
26 1ON3 DXX 13.6842
27 2GUC MAN 14.7541
28 2NU5 NAG 14.7541
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