Receptor
PDB id Resolution Class Description Source Keywords
1U1B 2 Å EC: 3.1.27.5 STRUCTURE OF BOVINE PANCREATIC RIBONUCLEASE A IN COMPLEX WIT PHOSPHOTHYMIDINE (3'-5')-PYROPHOSPHATE ADENOSINE 3'-PHOSPHA BOS TAURUS HYDROLASE RIBONUCLEASE ENDONUCLEASE NUCLEOTIDE INHIBITOR
Ref.: CONSERVATION OF MUS-MS ENZYME MOTIONS IN THE APO- A SUBSTRATE-MIMICKED STATE. J.AM.CHEM.SOC. V. 127 9167 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PAX A:901;
B:902;
Valid;
Valid;
none;
none;
Kd = 16 nM
809.358 C20 H27 N7 O20 P4 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U1B 2 Å EC: 3.1.27.5 STRUCTURE OF BOVINE PANCREATIC RIBONUCLEASE A IN COMPLEX WIT PHOSPHOTHYMIDINE (3'-5')-PYROPHOSPHATE ADENOSINE 3'-PHOSPHA BOS TAURUS HYDROLASE RIBONUCLEASE ENDONUCLEASE NUCLEOTIDE INHIBITOR
Ref.: CONSERVATION OF MUS-MS ENZYME MOTIONS IN THE APO- A SUBSTRATE-MIMICKED STATE. J.AM.CHEM.SOC. V. 127 9167 2005
Members (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1Z6D Ki = 4.6 mM IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 1O0H Ki = 1.2 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1JVU - C2P C9 H14 N3 O8 P C1=CN(C(=O....
4 3D7B Ki = 203 uM U4S C13 H19 N3 O5 C1CCN(C1)C....
5 3FL1 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
6 6PVW Ki = 0.48 uM OZV C10 H16 N5 O18 P5 c1nc(c2c(n....
7 3D6Q Ki = 172 uM U3S C14 H21 N3 O5 C1CCN(CC1)....
8 3JW1 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
9 3EV6 - RSF C6 H10 O3 C1CO[C@H]2....
10 2W5I Ki = 4.7 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 3D8Y Ki = 396 uM T3S C15 H23 N3 O4 CC1=CN(C(=....
12 3D6O Ki = 77 uM U1S C17 H25 N3 O7 CCOC(=O)C1....
13 3LXO Kd = 15 uM T3P C10 H15 N2 O8 P CC1=CN(C(=....
14 1O0O Ki = 8 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
15 1RPF - C3P C9 H14 N3 O8 P C1=CN(C(=O....
16 3D6P Ki = 179 uM U2S C13 H19 N3 O6 C1COCCN1C[....
17 4G8V Ki = 1.6 uM 0EY C12 H15 N5 O6 c1c(nnn1[C....
18 1RNC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
19 4WYZ Kd = 50 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
20 1ROB - C2P C9 H14 N3 O8 P C1=CN(C(=O....
21 1W4Q Ki = 5.5 uM UMF C9 H12 F N2 O8 P C1=CN(C(=O....
22 6PVV Ki = 1.4 uM 5FA C10 H18 N5 O19 P5 c1nc(c2c(n....
23 1O0F Ki = 5 uM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
24 3EV4 - ETF C2 H3 F3 O C(C(F)(F)F....
25 1RCA - CGP C19 H25 N8 O10 P c1nc2c(n1[....
26 1RND - DGP C10 H14 N5 O7 P c1nc2c(n1[....
27 4RSK Kd = 47.4 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
28 1RCN - DA DT DA DA n/a n/a
29 6PVX Ki = 0.068 uM U5F C9 H17 N2 O21 P5 C1=CN(C(=O....
30 1RNM - C5P C9 H14 N3 O8 P C1=CN(C(=O....
31 2W5K Ki = 12 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
32 2G8R Ki = 103 uM N3E C15 H21 N3 O7 C1CN(CCC1C....
33 1U1B Kd = 16 nM PAX C20 H27 N7 O20 P4 CC1=CN(C(=....
34 1QHC Ki = 27 nM PUA C19 H27 N7 O20 P4 c1nc(c2c(n....
35 3FL0 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
36 4WYP Kd = 440 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1O0M Ki = 7.1 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
38 2QCA - DGP C10 H14 N5 O7 P c1nc2c(n1[....
39 3EV5 - TMO C3 H9 N O C[N+](C)(C....
40 4S18 - 1PT C6 H14 N2 Pt C1CC[C@@H]....
41 1EOS - U2G C19 H24 N7 O13 P c1nc2c(n1[....
42 4RTE - CPT Cl2 H6 N2 Pt [NH3][Pt](....
43 1W4O Ki = 5.85 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
44 1RNN - C5P C9 H14 N3 O8 P C1=CN(C(=O....
45 2XOG Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
46 1W4P Ki = 18 uM UM3 C9 H13 N2 O8 P C1[C@@H]([....
47 1AFL Ki = 520 nM ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
48 3EV3 - TBU C4 H10 O CC(C)(C)O
49 3RID - CGP C19 H25 N8 O10 P c1nc2c(n1[....
50 1RPG - CPA C19 H25 N8 O9 P c1nc(c2c(n....
51 1WBU - WBU C4 H5 N3 O2 C1=C(C(=O)....
52 6QE9 - J9H C17 H18 N3 Pt Cc1ccc2ccc....
53 4G8Y Ki = 25.8 uM 0FT C13 H17 N5 O6 CC1=CN(C(=....
54 1JN4 Ki = 11.3 uM 139 C19 H25 N7 O14 P2 c1nc(c2c(n....
55 1O0N Ki = 82 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
56 1AFK Ki = 240 nM PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
57 2XOI Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
58 1EOW - U2G C19 H24 N7 O13 P c1nc2c(n1[....
59 5OGH - C3P C9 H14 N3 O8 P C1=CN(C(=O....
60 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
61 1F0V - DC DG n/a n/a
62 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
63 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
64 1Z6S Ki = 63 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
65 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
66 6F60 - DVW C27 H31 N7 O5 Pt CC1=CC=C2C....
67 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
68 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
69 5JLG - RU Ru [Ru+3]
70% Homology Family (79)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1Z6D Ki = 4.6 mM IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 1O0H Ki = 1.2 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1JVU - C2P C9 H14 N3 O8 P C1=CN(C(=O....
4 3D7B Ki = 203 uM U4S C13 H19 N3 O5 C1CCN(C1)C....
5 3FL1 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
6 6PVW Ki = 0.48 uM OZV C10 H16 N5 O18 P5 c1nc(c2c(n....
7 3D6Q Ki = 172 uM U3S C14 H21 N3 O5 C1CCN(CC1)....
8 3JW1 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
9 3EV6 - RSF C6 H10 O3 C1CO[C@H]2....
10 2W5I Ki = 4.7 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 3D8Y Ki = 396 uM T3S C15 H23 N3 O4 CC1=CN(C(=....
12 3D6O Ki = 77 uM U1S C17 H25 N3 O7 CCOC(=O)C1....
13 3LXO Kd = 15 uM T3P C10 H15 N2 O8 P CC1=CN(C(=....
14 1O0O Ki = 8 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
15 1RPF - C3P C9 H14 N3 O8 P C1=CN(C(=O....
16 3D6P Ki = 179 uM U2S C13 H19 N3 O6 C1COCCN1C[....
17 4G8V Ki = 1.6 uM 0EY C12 H15 N5 O6 c1c(nnn1[C....
18 1RNC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
19 4WYZ Kd = 50 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
20 1ROB - C2P C9 H14 N3 O8 P C1=CN(C(=O....
21 1W4Q Ki = 5.5 uM UMF C9 H12 F N2 O8 P C1=CN(C(=O....
22 6PVV Ki = 1.4 uM 5FA C10 H18 N5 O19 P5 c1nc(c2c(n....
23 1O0F Ki = 5 uM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
24 3EV4 - ETF C2 H3 F3 O C(C(F)(F)F....
25 1RCA - CGP C19 H25 N8 O10 P c1nc2c(n1[....
26 1RND - DGP C10 H14 N5 O7 P c1nc2c(n1[....
27 4RSK Kd = 47.4 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
28 1RCN - DA DT DA DA n/a n/a
29 6PVX Ki = 0.068 uM U5F C9 H17 N2 O21 P5 C1=CN(C(=O....
30 1RNM - C5P C9 H14 N3 O8 P C1=CN(C(=O....
31 2W5K Ki = 12 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
32 2G8R Ki = 103 uM N3E C15 H21 N3 O7 C1CN(CCC1C....
33 1U1B Kd = 16 nM PAX C20 H27 N7 O20 P4 CC1=CN(C(=....
34 1QHC Ki = 27 nM PUA C19 H27 N7 O20 P4 c1nc(c2c(n....
35 3FL0 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
36 4WYP Kd = 440 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1O0M Ki = 7.1 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
38 2QCA - DGP C10 H14 N5 O7 P c1nc2c(n1[....
39 3EV5 - TMO C3 H9 N O C[N+](C)(C....
40 4S18 - 1PT C6 H14 N2 Pt C1CC[C@@H]....
41 1EOS - U2G C19 H24 N7 O13 P c1nc2c(n1[....
42 4RTE - CPT Cl2 H6 N2 Pt [NH3][Pt](....
43 1W4O Ki = 5.85 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
44 1RNN - C5P C9 H14 N3 O8 P C1=CN(C(=O....
45 2XOG Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
46 1W4P Ki = 18 uM UM3 C9 H13 N2 O8 P C1[C@@H]([....
47 1AFL Ki = 520 nM ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
48 3EV3 - TBU C4 H10 O CC(C)(C)O
49 3RID - CGP C19 H25 N8 O10 P c1nc2c(n1[....
50 1RPG - CPA C19 H25 N8 O9 P c1nc(c2c(n....
51 1WBU - WBU C4 H5 N3 O2 C1=C(C(=O)....
52 6QE9 - J9H C17 H18 N3 Pt Cc1ccc2ccc....
53 4G8Y Ki = 25.8 uM 0FT C13 H17 N5 O6 CC1=CN(C(=....
54 1JN4 Ki = 11.3 uM 139 C19 H25 N7 O14 P2 c1nc(c2c(n....
55 1O0N Ki = 82 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
56 1AFK Ki = 240 nM PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
57 2XOI Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
58 1EOW - U2G C19 H24 N7 O13 P c1nc2c(n1[....
59 5OGH - C3P C9 H14 N3 O8 P C1=CN(C(=O....
60 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
61 1F0V - DC DG n/a n/a
62 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
63 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
64 1Z6S Ki = 63 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
65 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
66 6F60 - DVW C27 H31 N7 O5 Pt CC1=CC=C2C....
67 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
68 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
69 5JLG - RU Ru [Ru+3]
70 11BA - UPA C19 H24 N7 O12 P c1nc(c2c(n....
71 1TQ9 - CPA C19 H25 N8 O9 P c1nc(c2c(n....
72 3DJO Ki = 40.8 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
73 1N3Z - U3P C9 H13 N2 O9 P C1=CN(C(=O....
74 3DJV Ki = 27.9 uM C3P C9 H14 N3 O8 P C1=CN(C(=O....
75 1R5C - CPA C19 H25 N8 O9 P c1nc(c2c(n....
76 3DJQ Ki = 1046.4 uM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
77 3DJP Ki = 63.2 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
78 3DJX Ki = 1557 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
79 11BG - U2G C19 H24 N7 O13 P c1nc2c(n1[....
50% Homology Family (81)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1Z6D Ki = 4.6 mM IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 1O0H Ki = 1.2 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1JVU - C2P C9 H14 N3 O8 P C1=CN(C(=O....
4 3D7B Ki = 203 uM U4S C13 H19 N3 O5 C1CCN(C1)C....
5 3FL1 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
6 6PVW Ki = 0.48 uM OZV C10 H16 N5 O18 P5 c1nc(c2c(n....
7 3D6Q Ki = 172 uM U3S C14 H21 N3 O5 C1CCN(CC1)....
8 3JW1 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
9 3EV6 - RSF C6 H10 O3 C1CO[C@H]2....
10 2W5I Ki = 4.7 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 3D8Y Ki = 396 uM T3S C15 H23 N3 O4 CC1=CN(C(=....
12 3D6O Ki = 77 uM U1S C17 H25 N3 O7 CCOC(=O)C1....
13 3LXO Kd = 15 uM T3P C10 H15 N2 O8 P CC1=CN(C(=....
14 1O0O Ki = 8 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
15 1RPF - C3P C9 H14 N3 O8 P C1=CN(C(=O....
16 3D6P Ki = 179 uM U2S C13 H19 N3 O6 C1COCCN1C[....
17 4G8V Ki = 1.6 uM 0EY C12 H15 N5 O6 c1c(nnn1[C....
18 1RNC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
19 4WYZ Kd = 50 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
20 1ROB - C2P C9 H14 N3 O8 P C1=CN(C(=O....
21 1W4Q Ki = 5.5 uM UMF C9 H12 F N2 O8 P C1=CN(C(=O....
22 6PVV Ki = 1.4 uM 5FA C10 H18 N5 O19 P5 c1nc(c2c(n....
23 1O0F Ki = 5 uM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
24 3EV4 - ETF C2 H3 F3 O C(C(F)(F)F....
25 1RCA - CGP C19 H25 N8 O10 P c1nc2c(n1[....
26 1RND - DGP C10 H14 N5 O7 P c1nc2c(n1[....
27 4RSK Kd = 47.4 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
28 1RCN - DA DT DA DA n/a n/a
29 6PVX Ki = 0.068 uM U5F C9 H17 N2 O21 P5 C1=CN(C(=O....
30 1RNM - C5P C9 H14 N3 O8 P C1=CN(C(=O....
31 2W5K Ki = 12 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
32 2G8R Ki = 103 uM N3E C15 H21 N3 O7 C1CN(CCC1C....
33 1U1B Kd = 16 nM PAX C20 H27 N7 O20 P4 CC1=CN(C(=....
34 1QHC Ki = 27 nM PUA C19 H27 N7 O20 P4 c1nc(c2c(n....
35 3FL0 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
36 4WYP Kd = 440 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1O0M Ki = 7.1 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
38 2QCA - DGP C10 H14 N5 O7 P c1nc2c(n1[....
39 3EV5 - TMO C3 H9 N O C[N+](C)(C....
40 4S18 - 1PT C6 H14 N2 Pt C1CC[C@@H]....
41 1EOS - U2G C19 H24 N7 O13 P c1nc2c(n1[....
42 4RTE - CPT Cl2 H6 N2 Pt [NH3][Pt](....
43 1W4O Ki = 5.85 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
44 1RNN - C5P C9 H14 N3 O8 P C1=CN(C(=O....
45 2XOG Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
46 1W4P Ki = 18 uM UM3 C9 H13 N2 O8 P C1[C@@H]([....
47 1AFL Ki = 520 nM ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
48 3EV3 - TBU C4 H10 O CC(C)(C)O
49 3RID - CGP C19 H25 N8 O10 P c1nc2c(n1[....
50 1RPG - CPA C19 H25 N8 O9 P c1nc(c2c(n....
51 1WBU - WBU C4 H5 N3 O2 C1=C(C(=O)....
52 6QE9 - J9H C17 H18 N3 Pt Cc1ccc2ccc....
53 4G8Y Ki = 25.8 uM 0FT C13 H17 N5 O6 CC1=CN(C(=....
54 1JN4 Ki = 11.3 uM 139 C19 H25 N7 O14 P2 c1nc(c2c(n....
55 1O0N Ki = 82 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
56 1AFK Ki = 240 nM PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
57 2XOI Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
58 1EOW - U2G C19 H24 N7 O13 P c1nc2c(n1[....
59 5OGH - C3P C9 H14 N3 O8 P C1=CN(C(=O....
60 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
61 1F0V - DC DG n/a n/a
62 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
63 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
64 1Z6S Ki = 63 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
65 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
66 6F60 - DVW C27 H31 N7 O5 Pt CC1=CC=C2C....
67 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
68 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
69 5JLG - RU Ru [Ru+3]
70 11BA - UPA C19 H24 N7 O12 P c1nc(c2c(n....
71 1TQ9 - CPA C19 H25 N8 O9 P c1nc(c2c(n....
72 3DJO Ki = 40.8 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
73 1N3Z - U3P C9 H13 N2 O9 P C1=CN(C(=O....
74 3DJV Ki = 27.9 uM C3P C9 H14 N3 O8 P C1=CN(C(=O....
75 1R5C - CPA C19 H25 N8 O9 P c1nc(c2c(n....
76 3DJQ Ki = 1046.4 uM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
77 3DJP Ki = 63.2 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
78 3DJX Ki = 1557 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
79 11BG - U2G C19 H24 N7 O13 P c1nc2c(n1[....
80 5ARK - UMP C9 H13 N2 O8 P C1[C@@H]([....
81 2RNF - UM3 C9 H13 N2 O8 P C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PAX; Similar ligands found: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 PAX 1 1
2 PUA 0.614815 0.938272
3 4TA 0.613636 0.951219
4 DA DT DA DA 0.58156 0.939024
5 Z5A 0.574468 0.917647
6 A3P 0.5625 0.85
7 T5A 0.544118 0.939759
8 PAP 0.533898 0.839506
9 ADS THS THS THS 0.517483 0.873563
10 PPS 0.508197 0.755556
11 ATP A 0.503817 0.839506
12 ATP A A A 0.503817 0.839506
13 THP 0.5 0.85
14 3AM 0.495575 0.814815
15 DT DA DC DG 0.494048 0.929412
16 DC DG DT DA 0.491124 0.929412
17 A U 0.485714 0.878049
18 A C A C 0.479452 0.857143
19 0WD 0.479167 0.902439
20 ADP BMA 0.476923 0.809524
21 A U C C 0.470968 0.857143
22 G A A A 0.468966 0.813953
23 APU 0.464789 0.901235
24 A G U 0.459119 0.848837
25 139 0.458333 0.903614
26 A A A 0.454545 0.841463
27 A A 0.451128 0.851852
28 ADP MG 0.45082 0.82716
29 U A C C 0.449664 0.86747
30 DT DT DT 0.449612 0.829268
31 DC DC DT DG 0.448529 0.829268
32 U A A U 0.448052 0.91358
33 ATP MG 0.448 0.82716
34 ADP PO3 0.448 0.82716
35 U A G G 0.445946 0.823529
36 ADP ALF 0.445312 0.770115
37 ALF ADP 0.445312 0.770115
38 A G U U 0.445122 0.848837
39 VO4 ADP 0.44186 0.819277
40 ADP VO4 0.44186 0.819277
41 DU DU DU DU BRU DA DU 0.441718 0.872093
42 APC G U 0.44 0.823529
43 A G 0.439189 0.823529
44 COA FLC 0.437909 0.782609
45 DT DT DT DT DT 0.432836 0.853659
46 9BG 0.432432 0.813953
47 AMP 0.428571 0.82716
48 A 0.428571 0.82716
49 ETB 0.427632 0.763441
50 DT DC 0.426573 0.821429
51 DT DT PST 0.426471 0.790698
52 A2P 0.422764 0.8375
53 T3P 0.422414 0.82716
54 TTP MG 0.420635 0.82716
55 DCA 0.418301 0.793478
56 ATY 0.417323 0.809524
57 AR6 AR6 0.415493 0.829268
58 DG DA DC DG 0.414201 0.883721
59 COA 0.412903 0.793478
60 0T1 0.412903 0.793478
61 U A 0.411765 0.91358
62 SCO 0.411392 0.793478
63 KGJ 0.411043 0.747475
64 CCQ 0.410714 0.762887
65 NMN AMP PO4 0.410596 0.901235
66 DT MA7 DT 0.409938 0.872093
67 FAM 0.408805 0.776596
68 TMP 0.408333 0.839506
69 ADP 0.408 0.829268
70 HAX 0.40625 0.776596
71 PLM COA 0.405882 0.75
72 COA PLM 0.405882 0.75
73 30N 0.405063 0.73
74 AMX 0.405063 0.802198
75 COS 0.405063 0.776596
76 CAO 0.405063 0.768421
77 NYM 0.404959 0.864198
78 FYN 0.403727 0.793478
79 7D5 0.403361 0.795181
80 ATR 0.403101 0.82716
81 A22 0.402985 0.841463
82 CMX 0.402516 0.793478
83 M33 0.401575 0.819277
84 PO4 PO4 A A A A PO4 0.40146 0.8375
85 COK 0.401235 0.776596
86 KGP 0.401235 0.708738
87 YZS 0.401235 0.708738
88 FCX 0.4 0.768421
89 ACO 0.4 0.768421
90 AHZ 0.4 0.766667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U1B; Ligand: PAX; 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: 1u1b.bio2) has 85 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1U1B; Ligand: PAX; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 1u1b.bio1) has 69 residues
No: Leader PDB Ligand Sequence Similarity
1 2GMK AMP 40.3846
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