Receptor
PDB id Resolution Class Description Source Keywords
1RGK 1.87 Å EC: 3.1.27.3 RNASE T1 MUTANT GLU46GLN BINDS THE INHIBITORS 2'GMP AND 2'AM 3' SUBSITE ASPERGILLUS ORYZAE HYDROLASE(ENDORIBONUCLEASE)
Ref.: RNASE T1 MUTANT GLU46GLN BINDS THE INHIBITORS 2'GMP 2'AMP AT THE 3' SUBSITE. J.MOL.BIOL. V. 225 533 1992
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2AM A:105;
Valid;
none;
Kd = 49.1 uM
347.221 C10 H14 N5 O7 P c1nc(...
CA A:106;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RNT 1.9 Å EC: 3.1.27.3 RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE RIBONUCLEASE T1(ASTERISK)2(PRIME)-GUANYLIC ACID COMPLEX AT A NGSTROMS RESOLUTION ASPERGILLUS ORYZAE HYDROLASE(ENDORIBONUCLEASE)
Ref.: RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL OF THE RIBONUCLEASE T1(ASTERISK)2(PRIME)-GUANYLIC A COMPLEX AT 1.9 ANGSTROMS RESOLUTION ACTA CRYSTALLOGR.,SECT.B V. 43 548 1987
Members (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
2 1TRP - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
3 5GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
4 7RNT - 2AM C10 H14 N5 O7 P c1nc(c2c(n....
5 1FYS - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
6 1LOV - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
7 6RNT Kd = 4.3 mM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
8 1RGA - G C10 H14 N5 O8 P c1nc2c(n1[....
9 1RLS - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
10 1LOW - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
11 1I2F - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
12 1DET Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
13 1HZ1 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
14 5BIR Kd = 255 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
15 1FZU - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
16 1B2M - G U34 n/a n/a
17 1BVI - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
18 1I2E - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
19 1G02 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
20 1BIR Kd = 138 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
21 1RNT Kd = 6.5 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
22 3BIR Kd = 112 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
23 1CH0 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
24 1I3I - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
25 4GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
26 2AAD - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
27 5HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
28 3BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
29 3SYU Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
30 1I0V - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
31 1RHL - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
32 1I2G - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
33 1I0X - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
34 1RGK Kd = 49.1 uM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
35 1I3F - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
36 1LRA - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
37 4HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
38 2RNT - GPG C20 H25 N10 O12 P c1nc2c(n1[....
39 2BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
40 5BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
41 2BIR - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
42 1RGC - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
43 1GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
44 2HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
45 1HYF - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
46 7GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
47 3GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
48 3HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
49 1LOY - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
50 1BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
51 2GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
52 1RGL Kd = 37 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
53 1TRQ - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
54 4BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
70% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
2 1TRP - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
3 5GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
4 7RNT - 2AM C10 H14 N5 O7 P c1nc(c2c(n....
5 1FYS - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
6 1LOV - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
7 6RNT Kd = 4.3 mM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
8 1RGA - G C10 H14 N5 O8 P c1nc2c(n1[....
9 1RLS - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
10 1LOW - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
11 1I2F - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
12 1DET Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
13 1HZ1 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
14 5BIR Kd = 255 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
15 1FZU - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
16 1B2M - G U34 n/a n/a
17 1BVI - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
18 1I2E - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
19 1G02 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
20 1BIR Kd = 138 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
21 1RNT Kd = 6.5 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
22 3BIR Kd = 112 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
23 1CH0 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
24 1I3I - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
25 4GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
26 2AAD - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
27 5HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
28 3BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
29 3SYU Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
30 1I0V - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
31 1RHL - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
32 1I2G - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
33 1I0X - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
34 1RGK Kd = 49.1 uM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
35 1I3F - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
36 1LRA - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
37 4HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
38 2RNT - GPG C20 H25 N10 O12 P c1nc2c(n1[....
39 2BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
40 5BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
41 2BIR - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
42 1RGC - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
43 1GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
44 2HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
45 1HYF - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
46 7GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
47 3GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
48 3HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
49 1LOY - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
50 1BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
51 2GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
52 1RGL Kd = 37 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
53 1TRQ - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
54 4BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
55 1RMS - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
56 1RDS - GPC C19 H24 F N8 O11 P c1nc2c(n1[....
57 1FUT - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
50% Homology Family (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
2 1TRP - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
3 5GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
4 7RNT - 2AM C10 H14 N5 O7 P c1nc(c2c(n....
5 1FYS - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
6 1LOV - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
7 6RNT Kd = 4.3 mM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
8 1RGA - G C10 H14 N5 O8 P c1nc2c(n1[....
9 1RLS - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
10 1LOW - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
11 1I2F - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
12 1DET Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
13 1HZ1 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
14 5BIR Kd = 255 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
15 1FZU - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
16 1B2M - G U34 n/a n/a
17 1BVI - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
18 1I2E - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
19 1G02 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
20 1BIR Kd = 138 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
21 1RNT Kd = 6.5 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
22 3BIR Kd = 112 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
23 1CH0 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
24 1I3I - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
25 4GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
26 2AAD - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
27 5HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
28 3BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
29 3SYU Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
30 1I0V - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
31 1RHL - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
32 1I2G - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
33 1I0X - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
34 1RGK Kd = 49.1 uM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
35 1I3F - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
36 1LRA - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
37 4HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
38 2RNT - GPG C20 H25 N10 O12 P c1nc2c(n1[....
39 2BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
40 5BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
41 2BIR - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
42 1RGC - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
43 1GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
44 2HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
45 1HYF - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
46 7GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
47 3GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
48 3HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
49 1LOY - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
50 1BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
51 2GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
52 1RGL Kd = 37 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
53 1TRQ - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
54 4BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
55 1RMS - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
56 1RDS - GPC C19 H24 F N8 O11 P c1nc2c(n1[....
57 3AGO - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
58 3AHW - 2AM C10 H14 N5 O7 P c1nc(c2c(n....
59 3AGN - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
60 1FUT - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2AM; Similar ligands found: 274
No: Ligand ECFP6 Tc MDL keys Tc
1 2AM 1 1
2 OVE 0.828125 0.957747
3 A2P 0.80597 0.956522
4 ATR 0.739726 0.971014
5 3AM 0.691176 0.956522
6 A2R 0.683544 0.930556
7 A22 0.675 0.930556
8 NA7 0.642857 0.905405
9 A3P 0.635135 0.942857
10 RAB 0.6 0.842857
11 ADN 0.6 0.842857
12 XYA 0.6 0.842857
13 7D5 0.591549 0.902778
14 A 0.589041 0.942857
15 AMP 0.589041 0.942857
16 25A 0.588235 0.916667
17 PAP 0.5875 0.957143
18 V3L 0.573171 0.916667
19 PPS 0.566265 0.848101
20 7D7 0.560606 0.763889
21 25L 0.549451 0.930556
22 45A 0.545455 0.890411
23 ABM 0.545455 0.890411
24 A2D 0.545455 0.916667
25 ADP 0.544304 0.943662
26 SRA 0.539474 0.891892
27 AMP MG 0.539474 0.901408
28 101 0.539474 0.902778
29 7D3 0.538462 0.90411
30 AN2 0.5375 0.930556
31 2A5 0.536585 0.917808
32 5N5 0.536232 0.816901
33 PO4 PO4 A A A A PO4 0.533333 0.901408
34 BA3 0.531646 0.916667
35 AP2 0.531646 0.905405
36 A12 0.531646 0.905405
37 AGS 0.53012 0.893333
38 NDP 0.529412 0.87013
39 NPW 0.529412 0.8375
40 NWW 0.528571 0.757143
41 5CD 0.528571 0.777778
42 A4D 0.528571 0.816901
43 LMS 0.526316 0.780488
44 B4P 0.525 0.916667
45 AP5 0.525 0.916667
46 ATP 0.52439 0.943662
47 HEJ 0.52439 0.943662
48 TXP 0.524272 0.87013
49 NZQ 0.524272 0.858974
50 NJP 0.519231 0.893333
51 ODP 0.519231 0.858974
52 SON 0.518519 0.88
53 AT4 0.518519 0.905405
54 APC 0.518072 0.905405
55 AQP 0.518072 0.943662
56 5FA 0.518072 0.943662
57 XNP 0.514286 0.848101
58 7D4 0.512195 0.90411
59 CA0 0.512195 0.891892
60 ADX 0.512195 0.825
61 M33 0.512195 0.90411
62 AU1 0.512195 0.917808
63 HQG 0.511364 0.930556
64 EP4 0.506849 0.727273
65 KG4 0.506024 0.891892
66 50T 0.506024 0.930556
67 ACP 0.506024 0.917808
68 9BG 0.504762 0.894737
69 APR 0.5 0.916667
70 M2T 0.5 0.708861
71 PRX 0.5 0.866667
72 T99 0.5 0.905405
73 TAT 0.5 0.905405
74 5AD 0.5 0.742857
75 DTA 0.5 0.76
76 ADP MG 0.5 0.888889
77 AR6 0.5 0.916667
78 ADP BEF 0.5 0.888889
79 ACQ 0.5 0.917808
80 ADQ 0.494505 0.917808
81 ADV 0.494118 0.88
82 AD9 0.494118 0.917808
83 RBY 0.494118 0.88
84 A3G 0.493671 0.797297
85 MTA 0.493333 0.746667
86 KL2 0.493333 0.887324
87 Y3J 0.492958 0.722222
88 AV2 0.488636 0.916667
89 ATF 0.488636 0.905405
90 2VA 0.488095 0.797297
91 CUU 0.488095 0.943662
92 2GP 0.487805 0.905405
93 QQY 0.487179 0.863014
94 ACK 0.487179 0.913043
95 103 0.487179 0.835616
96 3AD 0.486111 0.828571
97 9X8 0.483871 0.868421
98 OAD 0.483871 0.891892
99 6YZ 0.483146 0.917808
100 ANP 0.482759 0.917808
101 6RE 0.481013 0.75641
102 3DH 0.480519 0.746667
103 NAP 0.477876 0.891892
104 V2G 0.477273 0.87013
105 5AL 0.477273 0.878378
106 8LE 0.477273 0.844156
107 ATP MG 0.476744 0.888889
108 ADP PO3 0.476744 0.888889
109 APC MG 0.476744 0.864865
110 NVA 2AD 0.476744 0.75641
111 AOC 0.475 0.794521
112 NEC 0.475 0.767123
113 DA 0.475 0.902778
114 D5M 0.475 0.902778
115 QQX 0.474359 0.851351
116 TAP 0.473684 0.857143
117 DG1 0.473684 0.87013
118 1DG 0.473684 0.87013
119 CC5 0.471429 0.788732
120 VRT 0.471264 0.766234
121 SO8 0.471264 0.786667
122 BEF ADP 0.471264 0.864865
123 5X8 0.470588 0.736842
124 5AS 0.46988 0.755814
125 7L1 0.469565 0.772727
126 NA0 0.469565 0.88
127 ZAS 0.468354 0.74026
128 ADP BMA 0.468085 0.891892
129 9ZA 0.467391 0.857143
130 9ZD 0.467391 0.857143
131 5SV 0.467391 0.822785
132 SRP 0.466667 0.88
133 8LH 0.466667 0.88
134 GAP 0.465909 0.866667
135 3AT 0.465909 0.943662
136 3D1 0.465753 0.794521
137 3L1 0.465753 0.794521
138 A3S 0.464286 0.808219
139 S4M 0.463415 0.662791
140 J4G 0.463158 0.868421
141 NWQ 0.461538 0.736111
142 KMQ 0.459184 0.88
143 MAO 0.457831 0.73494
144 00A 0.457447 0.833333
145 N5O 0.45679 0.783784
146 DSH 0.45679 0.721519
147 8LQ 0.456522 0.855263
148 MAP 0.456522 0.893333
149 QA7 0.456522 0.844156
150 VO4 ADP 0.455556 0.891892
151 ANP MG 0.455556 0.878378
152 ALF ADP 0.455556 0.820513
153 LQJ 0.454545 0.916667
154 DAT 0.453488 0.90411
155 A3T 0.453488 0.819444
156 SFG 0.453488 0.723684
157 APU 0.45283 0.893333
158 OZV 0.451613 0.916667
159 8QN 0.451613 0.878378
160 OOB 0.451613 0.878378
161 A3N 0.451219 0.783784
162 J7C 0.451219 0.766234
163 PR8 0.447917 0.825
164 PAJ 0.446809 0.858974
165 A1R 0.446809 0.881579
166 AMO 0.446809 0.88
167 4AD 0.446809 0.868421
168 A3R 0.446809 0.881579
169 GJV 0.445783 0.746835
170 N5A 0.445783 0.756757
171 0WD 0.445455 0.87013
172 NMN AMP PO4 0.445455 0.820513
173 UPA 0.443396 0.881579
174 BIS 0.443299 0.881579
175 PTJ 0.443299 0.846154
176 FYA 0.443299 0.878378
177 1ZZ 0.443299 0.792683
178 3OD 0.443299 0.891892
179 SA8 0.443182 0.682927
180 A5D 0.443182 0.76
181 JNT 0.442105 0.917808
182 AHX 0.442105 0.87013
183 DLL 0.442105 0.878378
184 AR6 AR6 0.441176 0.864865
185 GGZ 0.44086 0.822785
186 DAL AMP 0.44086 0.853333
187 CO7 0.439024 0.781609
188 TM1 0.438776 0.771084
189 SAH 0.438202 0.717949
190 SAI 0.438202 0.708861
191 G5A 0.438202 0.755814
192 3UK 0.4375 0.866667
193 H1Q 0.436782 0.876712
194 S7M 0.434783 0.666667
195 SMM 0.434783 0.662791
196 9SN 0.434343 0.822785
197 5F1 0.434211 0.72973
198 OMR 0.433962 0.804878
199 AS 0.433735 0.855263
200 DTP 0.433333 0.90411
201 LAD 0.43299 0.835443
202 B5V 0.43299 0.855263
203 WAQ 0.43299 0.833333
204 SP1 0.432099 0.84
205 RP1 0.432099 0.84
206 A7D 0.430233 0.773333
207 ATP A 0.43 0.876712
208 ATP A A A 0.43 0.876712
209 TXA 0.428571 0.88
210 NB8 0.428571 0.846154
211 JB6 0.428571 0.833333
212 EEM 0.428571 0.666667
213 ME8 0.428571 0.792683
214 TSB 0.425532 0.77381
215 MHZ 0.425287 0.694118
216 MYR AMP 0.424242 0.771084
217 A5A 0.423913 0.761905
218 CMP 0.423529 0.9
219 2BA 0.423529 0.887324
220 ENP 0.42268 0.866667
221 ARJ 0.421053 0.746479
222 GEK 0.421053 0.691358
223 N01 0.421053 0.853333
224 SSA 0.419355 0.776471
225 V47 0.419355 0.733333
226 NOC 0.418919 0.760563
227 P5A 0.418367 0.722222
228 SAM 0.417582 0.666667
229 DDS 0.417582 0.876712
230 B5Y 0.415842 0.844156
231 B5M 0.415842 0.844156
232 FA5 0.415842 0.855263
233 VMS 0.414894 0.744186
234 54H 0.414894 0.744186
235 52H 0.414894 0.735632
236 AFH 0.413462 0.858974
237 ANZ 0.413462 0.820513
238 AAT 0.413043 0.703704
239 DZ4 0.413043 0.88
240 XAH 0.411765 0.814815
241 NAI 0.411215 0.857143
242 ZDA 0.411111 0.837838
243 53H 0.410526 0.735632
244 5CA 0.410526 0.776471
245 D3Y 0.410526 0.786667
246 8X1 0.410526 0.730337
247 5J9 0.41 0.728395
248 A6D 0.408163 0.698795
249 K15 0.408163 0.658824
250 4UV 0.407767 0.844156
251 V1N 0.407767 0.890411
252 LAQ 0.40566 0.792683
253 ETB 0.405172 0.809524
254 DCA 0.405172 0.8
255 3NZ 0.40404 0.779221
256 G3A 0.403846 0.87013
257 AP0 0.40367 0.846154
258 5HG 0.402597 0.723684
259 AFX 0.402597 0.675325
260 NX8 0.402174 0.7125
261 0UM 0.402062 0.695122
262 NSS 0.402062 0.755814
263 LSS 0.402062 0.719101
264 DSZ 0.402062 0.755814
265 48N 0.401869 0.846154
266 PUA 0.401709 0.858974
267 NWZ 0.4 0.7
268 7MD 0.4 0.8375
269 9K8 0.4 0.673913
270 GA7 0.4 0.905405
271 ARG AMP 0.4 0.804878
272 0XU 0.4 0.701299
273 G5P 0.4 0.87013
274 4UU 0.4 0.844156
Similar Ligands (3D)
Ligand no: 1; Ligand: 2AM; Similar ligands found: 24
No: Ligand Similarity coefficient
1 U2P 0.9288
2 C2P 0.9150
3 SGP 0.9112
4 C3P 0.8965
5 T3P 0.8965
6 3GP 0.8781
7 UM3 0.8758
8 FMB 0.8740
9 JO2 0.8731
10 U3P 0.8731
11 GP0 0.8720
12 TMP 0.8719
13 FMC 0.8702
14 FHI 0.8657
15 GMP 0.8652
16 2GE 0.8642
17 NOS 0.8616
18 DIF 0.8606
19 IMH 0.8601
20 TBN 0.8591
21 1DA 0.8586
22 S0K 0.8577
23 J6N 0.8559
24 BRY 0.8534
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RNT; Ligand: 2GP; 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: 1rnt.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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