Receptor
PDB id Resolution Class Description Source Keywords
1AFK 1.7 Å EC: 3.1.27.5 CRYSTAL STRUCTURE OF RIBONUCLEASE A IN COMPLEX WITH 5'- DIPHOSPHOADENOSINE-3'-PHOSPHATE BOS TAURUS HYDROLASE RIBONUCLEASE ENDONUCLEASE NUCLEOTIDE INHIBITOR
Ref.: CRYSTAL STRUCTURES OF RIBONUCLEASE A COMPLEXES WITH 5'-DIPHOSPHOADENOSINE 3'-PHOSPHATE AND 5'-DIPHOSPHOADENOSINE 2'-PHOSPHATE AT 1.7 A RESOLUTION. BIOCHEMISTRY V. 36 5578 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PAP A:125;
B:125;
Valid;
Valid;
none;
none;
Ki = 240 nM
507.181 C10 H16 N5 O13 P3 c1nc(...
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 WITH 3'-PHOSPHOTHYMIDINE (3'-5')-PYROPHOSPHATE ADENOSINE 3 '-PHOSPHATE BOS TAURUS HYDROLASE RIBONUCLEASE ENDONUCLEASE NUCLEOTIDE INHIBITOR
Ref.: CONSERVATION OF MUS-MS ENZYME MOTIONS IN THE APO-AND SUBSTRATE-MIMICKED STATE. J.AM.CHEM.SOC. V. 127 9167 2005
Members (63)
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 3D6Q Ki = 172 uM U3S C14 H21 N3 O5 C1CCN(CC1)....
7 3JW1 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
8 3EV6 - RSF C6 H10 O3 C1CO[C@H]2....
9 2W5I Ki = 4.7 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 3D8Y Ki = 396 uM T3S C15 H23 N3 O4 CC1=CN(C(=....
11 3D6O Ki = 77 uM U1S C17 H25 N3 O7 CCOC(=O)C1....
12 3LXO Kd = 15 uM T3P C10 H15 N2 O8 P CC1=CN(C(=....
13 1O0O Ki = 8 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
14 1RPF - C3P C9 H14 N3 O8 P C1=CN(C(=O....
15 3D6P Ki = 179 uM U2S C13 H19 N3 O6 C1COCCN1C[....
16 4G8V Ki = 1.6 uM 0EY C12 H15 N5 O6 c1c(nnn1[C....
17 1RNC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
18 4WYZ Kd = 50 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
19 1ROB - C2P C9 H14 N3 O8 P C1=CN(C(=O....
20 1W4Q Ki = 5.5 uM UMF C9 H12 F N2 O8 P C1=CN(C(=O....
21 1O0F Ki = 5 uM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
22 3EV4 - ETF C2 H3 F3 O C(C(F)(F)F....
23 1RCA - CGP C19 H25 N8 O10 P c1nc2c(n1[....
24 1RND - DGP C10 H14 N5 O7 P c1nc2c(n1[....
25 4RSK Kd = 47.4 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
26 1RCN - DA DT DA DA n/a n/a
27 1RNM - C5P C9 H14 N3 O8 P C1=CN(C(=O....
28 2W5K Ki = 12 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
29 2G8R Ki = 103 uM N3E C15 H21 N3 O7 C1CN(CCC1C....
30 1U1B Kd = 16 nM PAX C20 H27 N7 O20 P4 CC1=CN(C(=....
31 1QHC Ki = 27 nM PUA C19 H27 N7 O20 P4 c1nc(c2c(n....
32 3FL0 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
33 4WYP Kd = 440 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
34 1O0M Ki = 7.1 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
35 2QCA - DGP C10 H14 N5 O7 P c1nc2c(n1[....
36 3EV5 - TMO C3 H9 N O C[N+](C)(C....
37 4S18 - 1PT C6 H14 N2 Pt C1CC[C@@H]....
38 1EOS - U2G C19 H24 N7 O13 P c1nc2c(n1[....
39 4RTE - CPT Cl2 H6 N2 Pt [NH3][Pt](....
40 1W4O Ki = 5.85 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
41 1RNN - C5P C9 H14 N3 O8 P C1=CN(C(=O....
42 2XOG Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
43 1W4P Ki = 18 uM UM3 C9 H13 N2 O8 P C1[C@@H]([....
44 1AFL Ki = 520 nM ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
45 3EV3 - TBU C4 H10 O CC(C)(C)O
46 3RID - CGP C19 H25 N8 O10 P c1nc2c(n1[....
47 1RPG - CPA C19 H25 N8 O9 P c1nc(c2c(n....
48 1WBU - WBU C4 H5 N3 O2 C1=C(C(=O)....
49 4G8Y Ki = 25.8 uM 0FT C13 H17 N5 O6 CC1=CN(C(=....
50 1JN4 Ki = 11.3 uM 139 C19 H25 N7 O14 P2 c1nc(c2c(n....
51 1O0N Ki = 82 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
52 1AFK Ki = 240 nM PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 2XOI Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
54 1EOW - U2G C19 H24 N7 O13 P c1nc2c(n1[....
55 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
56 1F0V - DC DG n/a n/a
57 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
58 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
59 1Z6S Ki = 63 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
60 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
61 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
62 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
63 5JLG - RU Ru [Ru+3]
70% Homology Family (73)
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 3D6Q Ki = 172 uM U3S C14 H21 N3 O5 C1CCN(CC1)....
7 3JW1 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
8 3EV6 - RSF C6 H10 O3 C1CO[C@H]2....
9 2W5I Ki = 4.7 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 3D8Y Ki = 396 uM T3S C15 H23 N3 O4 CC1=CN(C(=....
11 3D6O Ki = 77 uM U1S C17 H25 N3 O7 CCOC(=O)C1....
12 3LXO Kd = 15 uM T3P C10 H15 N2 O8 P CC1=CN(C(=....
13 1O0O Ki = 8 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
14 1RPF - C3P C9 H14 N3 O8 P C1=CN(C(=O....
15 3D6P Ki = 179 uM U2S C13 H19 N3 O6 C1COCCN1C[....
16 4G8V Ki = 1.6 uM 0EY C12 H15 N5 O6 c1c(nnn1[C....
17 1RNC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
18 4WYZ Kd = 50 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
19 1ROB - C2P C9 H14 N3 O8 P C1=CN(C(=O....
20 1W4Q Ki = 5.5 uM UMF C9 H12 F N2 O8 P C1=CN(C(=O....
21 1O0F Ki = 5 uM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
22 3EV4 - ETF C2 H3 F3 O C(C(F)(F)F....
23 1RCA - CGP C19 H25 N8 O10 P c1nc2c(n1[....
24 1RND - DGP C10 H14 N5 O7 P c1nc2c(n1[....
25 4RSK Kd = 47.4 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
26 1RCN - DA DT DA DA n/a n/a
27 1RNM - C5P C9 H14 N3 O8 P C1=CN(C(=O....
28 2W5K Ki = 12 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
29 2G8R Ki = 103 uM N3E C15 H21 N3 O7 C1CN(CCC1C....
30 1U1B Kd = 16 nM PAX C20 H27 N7 O20 P4 CC1=CN(C(=....
31 1QHC Ki = 27 nM PUA C19 H27 N7 O20 P4 c1nc(c2c(n....
32 3FL0 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
33 4WYP Kd = 440 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
34 1O0M Ki = 7.1 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
35 2QCA - DGP C10 H14 N5 O7 P c1nc2c(n1[....
36 3EV5 - TMO C3 H9 N O C[N+](C)(C....
37 4S18 - 1PT C6 H14 N2 Pt C1CC[C@@H]....
38 1EOS - U2G C19 H24 N7 O13 P c1nc2c(n1[....
39 4RTE - CPT Cl2 H6 N2 Pt [NH3][Pt](....
40 1W4O Ki = 5.85 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
41 1RNN - C5P C9 H14 N3 O8 P C1=CN(C(=O....
42 2XOG Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
43 1W4P Ki = 18 uM UM3 C9 H13 N2 O8 P C1[C@@H]([....
44 1AFL Ki = 520 nM ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
45 3EV3 - TBU C4 H10 O CC(C)(C)O
46 3RID - CGP C19 H25 N8 O10 P c1nc2c(n1[....
47 1RPG - CPA C19 H25 N8 O9 P c1nc(c2c(n....
48 1WBU - WBU C4 H5 N3 O2 C1=C(C(=O)....
49 4G8Y Ki = 25.8 uM 0FT C13 H17 N5 O6 CC1=CN(C(=....
50 1JN4 Ki = 11.3 uM 139 C19 H25 N7 O14 P2 c1nc(c2c(n....
51 1O0N Ki = 82 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
52 1AFK Ki = 240 nM PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 2XOI Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
54 1EOW - U2G C19 H24 N7 O13 P c1nc2c(n1[....
55 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
56 1F0V - DC DG n/a n/a
57 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
58 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
59 1Z6S Ki = 63 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
60 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
61 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
62 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
63 5JLG - RU Ru [Ru+3]
64 11BA - UPA C19 H24 N7 O12 P c1nc(c2c(n....
65 1TQ9 - CPA C19 H25 N8 O9 P c1nc(c2c(n....
66 3DJO Ki = 40.8 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
67 1N3Z - U3P C9 H13 N2 O9 P C1=CN(C(=O....
68 3DJV Ki = 27.9 uM C3P C9 H14 N3 O8 P C1=CN(C(=O....
69 1R5C - CPA C19 H25 N8 O9 P c1nc(c2c(n....
70 3DJQ Ki = 1046.4 uM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
71 3DJP Ki = 63.2 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
72 3DJX Ki = 1557 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
73 11BG - U2G C19 H24 N7 O13 P c1nc2c(n1[....
50% Homology Family (75)
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 3D6Q Ki = 172 uM U3S C14 H21 N3 O5 C1CCN(CC1)....
7 3JW1 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
8 3EV6 - RSF C6 H10 O3 C1CO[C@H]2....
9 2W5I Ki = 4.7 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 3D8Y Ki = 396 uM T3S C15 H23 N3 O4 CC1=CN(C(=....
11 3D6O Ki = 77 uM U1S C17 H25 N3 O7 CCOC(=O)C1....
12 3LXO Kd = 15 uM T3P C10 H15 N2 O8 P CC1=CN(C(=....
13 1O0O Ki = 8 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
14 1RPF - C3P C9 H14 N3 O8 P C1=CN(C(=O....
15 3D6P Ki = 179 uM U2S C13 H19 N3 O6 C1COCCN1C[....
16 4G8V Ki = 1.6 uM 0EY C12 H15 N5 O6 c1c(nnn1[C....
17 1RNC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
18 4WYZ Kd = 50 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
19 1ROB - C2P C9 H14 N3 O8 P C1=CN(C(=O....
20 1W4Q Ki = 5.5 uM UMF C9 H12 F N2 O8 P C1=CN(C(=O....
21 1O0F Ki = 5 uM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
22 3EV4 - ETF C2 H3 F3 O C(C(F)(F)F....
23 1RCA - CGP C19 H25 N8 O10 P c1nc2c(n1[....
24 1RND - DGP C10 H14 N5 O7 P c1nc2c(n1[....
25 4RSK Kd = 47.4 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
26 1RCN - DA DT DA DA n/a n/a
27 1RNM - C5P C9 H14 N3 O8 P C1=CN(C(=O....
28 2W5K Ki = 12 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
29 2G8R Ki = 103 uM N3E C15 H21 N3 O7 C1CN(CCC1C....
30 1U1B Kd = 16 nM PAX C20 H27 N7 O20 P4 CC1=CN(C(=....
31 1QHC Ki = 27 nM PUA C19 H27 N7 O20 P4 c1nc(c2c(n....
32 3FL0 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
33 4WYP Kd = 440 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
34 1O0M Ki = 7.1 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
35 2QCA - DGP C10 H14 N5 O7 P c1nc2c(n1[....
36 3EV5 - TMO C3 H9 N O C[N+](C)(C....
37 4S18 - 1PT C6 H14 N2 Pt C1CC[C@@H]....
38 1EOS - U2G C19 H24 N7 O13 P c1nc2c(n1[....
39 4RTE - CPT Cl2 H6 N2 Pt [NH3][Pt](....
40 1W4O Ki = 5.85 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
41 1RNN - C5P C9 H14 N3 O8 P C1=CN(C(=O....
42 2XOG Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
43 1W4P Ki = 18 uM UM3 C9 H13 N2 O8 P C1[C@@H]([....
44 1AFL Ki = 520 nM ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
45 3EV3 - TBU C4 H10 O CC(C)(C)O
46 3RID - CGP C19 H25 N8 O10 P c1nc2c(n1[....
47 1RPG - CPA C19 H25 N8 O9 P c1nc(c2c(n....
48 1WBU - WBU C4 H5 N3 O2 C1=C(C(=O)....
49 4G8Y Ki = 25.8 uM 0FT C13 H17 N5 O6 CC1=CN(C(=....
50 1JN4 Ki = 11.3 uM 139 C19 H25 N7 O14 P2 c1nc(c2c(n....
51 1O0N Ki = 82 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
52 1AFK Ki = 240 nM PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 2XOI Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
54 1EOW - U2G C19 H24 N7 O13 P c1nc2c(n1[....
55 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
56 1F0V - DC DG n/a n/a
57 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
58 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
59 1Z6S Ki = 63 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
60 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
61 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
62 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
63 5JLG - RU Ru [Ru+3]
64 11BA - UPA C19 H24 N7 O12 P c1nc(c2c(n....
65 1TQ9 - CPA C19 H25 N8 O9 P c1nc(c2c(n....
66 3DJO Ki = 40.8 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
67 1N3Z - U3P C9 H13 N2 O9 P C1=CN(C(=O....
68 3DJV Ki = 27.9 uM C3P C9 H14 N3 O8 P C1=CN(C(=O....
69 1R5C - CPA C19 H25 N8 O9 P c1nc(c2c(n....
70 3DJQ Ki = 1046.4 uM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
71 3DJP Ki = 63.2 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
72 3DJX Ki = 1557 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
73 11BG - U2G C19 H24 N7 O13 P c1nc2c(n1[....
74 5ARK - UMP C9 H13 N2 O8 P C1[C@@H]([....
75 2RNF - UM3 C9 H13 N2 O8 P C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PAP; Similar ligands found: 379
No: Ligand ECFP6 Tc MDL keys Tc
1 PAP 1 1
2 A3P 0.835616 0.985507
3 PPS 0.810127 0.884615
4 3AM 0.72973 0.942857
5 ADP 0.708861 0.985714
6 ATR 0.707317 0.985507
7 7D3 0.683544 0.917808
8 2A5 0.674699 0.931507
9 ATP 0.642857 0.985714
10 AQP 0.635294 0.985714
11 5FA 0.635294 0.985714
12 A2D 0.62963 0.957747
13 B4P 0.626506 0.957747
14 AP5 0.626506 0.957747
15 0WD 0.622642 0.907895
16 AN2 0.619048 0.971831
17 A22 0.615385 0.971831
18 DCA 0.614679 0.811765
19 ETB 0.614679 0.821429
20 BA3 0.614458 0.957747
21 7D4 0.611765 0.917808
22 SAP 0.609195 0.932432
23 AGS 0.609195 0.932432
24 COA 0.603604 0.811765
25 0T1 0.603604 0.811765
26 ACQ 0.595506 0.958333
27 ANP 0.595506 0.958333
28 A2P 0.595238 0.971014
29 PUA 0.594595 0.896104
30 M33 0.593023 0.944444
31 AMP 0.592593 0.957143
32 A 0.592593 0.957143
33 A A A 0.589474 0.891892
34 COS 0.587719 0.793103
35 CAO 0.587719 0.784091
36 30N 0.587719 0.741935
37 AMX 0.587719 0.821429
38 2AM 0.5875 0.957143
39 A2R 0.586957 0.971831
40 ACP 0.586207 0.958333
41 DAT 0.586207 0.917808
42 SCO 0.582609 0.811765
43 CMX 0.582609 0.811765
44 AV2 0.582418 0.930556
45 APR 0.579545 0.957747
46 AR6 0.579545 0.957747
47 TAT 0.577778 0.945205
48 FCX 0.577586 0.784091
49 FAM 0.577586 0.793103
50 ACO 0.577586 0.784091
51 ATP A A A 0.575758 0.916667
52 APU 0.575472 0.906667
53 7D5 0.575 0.890411
54 AD9 0.573034 0.958333
55 HAX 0.57265 0.793103
56 NMX 0.571429 0.75
57 25L 0.571429 0.971831
58 ADQ 0.568421 0.931507
59 3KK 0.567797 0.793103
60 FYN 0.567797 0.811765
61 A A 0.56701 0.930556
62 SOP 0.563025 0.793103
63 COK 0.563025 0.793103
64 MCD 0.563025 0.793103
65 CA6 0.563025 0.71875
66 OXK 0.563025 0.793103
67 APC 0.561798 0.945205
68 AMP MG 0.559524 0.878378
69 1VU 0.558333 0.784091
70 CMC 0.558333 0.793103
71 CO6 0.558333 0.793103
72 CA0 0.556818 0.931507
73 ADX 0.556818 0.860759
74 NA7 0.556701 0.945205
75 2MC 0.553719 0.758242
76 CAJ 0.553719 0.793103
77 SCD 0.553719 0.811765
78 ABM 0.552941 0.90411
79 MC4 0.552846 0.75
80 ADP BEF 0.550562 0.868421
81 50T 0.550562 0.944444
82 BEF ADP 0.550562 0.868421
83 MLC 0.54918 0.793103
84 1HE 0.54918 0.775281
85 BCO 0.54918 0.793103
86 IVC 0.54918 0.802326
87 A1S 0.54918 0.793103
88 3HC 0.54918 0.802326
89 ATF 0.548387 0.945205
90 SRA 0.547619 0.905405
91 G3D 0.547368 0.918919
92 3OD 0.545455 0.931507
93 YE1 0.544715 0.802326
94 CAA 0.544715 0.802326
95 MCA 0.544715 0.784091
96 COO 0.544715 0.793103
97 PRX 0.544444 0.88
98 25A 0.541667 0.957747
99 2CP 0.540323 0.784091
100 SCA 0.540323 0.793103
101 AP2 0.54023 0.945205
102 A12 0.54023 0.945205
103 XYA 0.539474 0.830986
104 RAB 0.539474 0.830986
105 ADN 0.539474 0.830986
106 AU1 0.539326 0.958333
107 ADP MG 0.539326 0.891892
108 BYC 0.536 0.793103
109 COW 0.536 0.784091
110 HGG 0.536 0.793103
111 COF 0.536 0.775281
112 3CP 0.536 0.793103
113 CA8 0.536 0.71875
114 1GZ 0.536 0.784091
115 IRC 0.536 0.802326
116 2KQ 0.536 0.775281
117 PAX 0.533898 0.839506
118 4CA 0.531746 0.784091
119 BCA 0.531746 0.784091
120 FAQ 0.531746 0.793103
121 CCQ 0.53125 0.758242
122 00A 0.530612 0.87013
123 OVE 0.529412 0.917808
124 HXC 0.527559 0.775281
125 GRA 0.527559 0.793103
126 3AT 0.526882 0.985714
127 DTP 0.526882 0.917808
128 SRP 0.526316 0.893333
129 OOB 0.525773 0.917808
130 OAD 0.525253 0.931507
131 TGC 0.523438 0.784091
132 ADP PO3 0.521739 0.929577
133 5AL 0.521277 0.917808
134 A1R 0.520408 0.894737
135 2NE 0.51938 0.775281
136 1CZ 0.51938 0.784091
137 CIC 0.51938 0.793103
138 CO8 0.51938 0.775281
139 S0N 0.51938 0.793103
140 ATP MG 0.516129 0.891892
141 MAP 0.515464 0.932432
142 UCC 0.515385 0.775281
143 0FQ 0.515385 0.793103
144 MFK 0.515385 0.775281
145 DCC 0.515385 0.775281
146 MYA 0.515385 0.775281
147 5F9 0.515385 0.775281
148 ST9 0.515385 0.775281
149 4CO 0.515385 0.784091
150 DLL 0.515152 0.917808
151 0ET 0.51145 0.775281
152 01A 0.51145 0.758242
153 GAP 0.510638 0.88
154 VO4 ADP 0.510417 0.917808
155 ANP MG 0.510417 0.881579
156 ADP VO4 0.510417 0.917808
157 ADP BMA 0.51 0.905405
158 CS8 0.507576 0.766667
159 1CV 0.507576 0.793103
160 WCA 0.507576 0.775281
161 ADV 0.505376 0.918919
162 RBY 0.505376 0.918919
163 PAJ 0.50505 0.871795
164 AMO 0.50505 0.918919
165 NHM 0.503759 0.775281
166 NHW 0.503759 0.775281
167 UOQ 0.503759 0.775281
168 4KX 0.503759 0.766667
169 HDC 0.503759 0.775281
170 HFQ 0.5 0.775281
171 MRS 0.5 0.775281
172 FA5 0.5 0.893333
173 BIS 0.5 0.92
174 12D 0.5 0.795181
175 MRR 0.5 0.775281
176 ALF ADP 0.5 0.857143
177 ADP ALF 0.5 0.857143
178 FYA 0.5 0.891892
179 YNC 0.496296 0.784091
180 DAK 0.496296 0.766667
181 G A A A 0.495652 0.858974
182 3UK 0.49505 0.905405
183 8QN 0.494949 0.917808
184 5SV 0.494949 0.835443
185 V3L 0.494737 0.957747
186 SON 0.494505 0.918919
187 8Z2 0.492647 0.766667
188 A U 0.491071 0.857143
189 LAD 0.490196 0.848101
190 WAQ 0.490196 0.87013
191 4AD 0.49 0.906667
192 5N5 0.4875 0.805556
193 7D7 0.487179 0.753425
194 NJP 0.486957 0.932432
195 YAP 0.485714 0.881579
196 NHQ 0.485507 0.802326
197 PTJ 0.485437 0.883117
198 1ZZ 0.485437 0.82716
199 ME8 0.485437 0.82716
200 NB8 0.485437 0.883117
201 AHX 0.485149 0.883117
202 U A C C 0.483051 0.846154
203 NPW 0.482456 0.873418
204 NDP 0.482456 0.907895
205 G5P 0.481481 0.907895
206 5CD 0.481481 0.791667
207 A4D 0.481481 0.805556
208 AFH 0.481481 0.871795
209 DDS 0.479167 0.890411
210 U A G G 0.478632 0.87013
211 1HA 0.478571 0.775281
212 UP5 0.477477 0.906667
213 9SN 0.47619 0.858974
214 PR8 0.475728 0.8375
215 G4P 0.475248 0.918919
216 01K 0.475177 0.793103
217 ODP 0.474138 0.896104
218 ITT 0.473118 0.929577
219 G3A 0.472222 0.907895
220 D5M 0.47191 0.890411
221 DA 0.47191 0.890411
222 A3G 0.47191 0.786667
223 COT 0.471831 0.793103
224 J7V 0.471545 0.821429
225 TXA 0.471154 0.918919
226 APC G U 0.470588 0.846154
227 DAL AMP 0.47 0.891892
228 48N 0.468468 0.883117
229 PO4 PO4 A A A A PO4 0.466019 0.915493
230 NZQ 0.465517 0.896104
231 TXP 0.465517 0.907895
232 CA3 0.465278 0.793103
233 NAI 0.464286 0.894737
234 EP4 0.464286 0.74026
235 NAX 0.464286 0.860759
236 NXX 0.464286 0.918919
237 DND 0.464286 0.918919
238 128 0.464286 0.785714
239 GTA 0.463636 0.873418
240 4UV 0.462963 0.881579
241 101 0.460674 0.890411
242 6RE 0.460674 0.746835
243 TYM 0.460177 0.893333
244 OMR 0.460177 0.839506
245 LAQ 0.459459 0.82716
246 6AD 0.459184 0.896104
247 M2T 0.458824 0.721519
248 DTA 0.458824 0.773333
249 XNP 0.457627 0.884615
250 T5A 0.456897 0.829268
251 139 0.456897 0.860759
252 AP0 0.45614 0.883117
253 4TC 0.45614 0.883117
254 UPA 0.45614 0.894737
255 U A A U 0.456 0.894737
256 5AD 0.455696 0.732394
257 AOC 0.455556 0.808219
258 GGZ 0.455446 0.835443
259 YLP 0.455357 0.807229
260 4UU 0.454545 0.881579
261 XAH 0.453704 0.82716
262 MTA 0.453488 0.76
263 A4P 0.452174 0.831325
264 5AS 0.451613 0.767442
265 NAP 0.451613 0.931507
266 TXD 0.451327 0.894737
267 4UW 0.451327 0.848101
268 6V0 0.451327 0.883117
269 Y3J 0.451219 0.712329
270 CA5 0.449664 0.758242
271 ZAS 0.449438 0.753247
272 1DG 0.448 0.907895
273 DG1 0.448 0.907895
274 TAP 0.448 0.894737
275 TXE 0.447368 0.894737
276 A3S 0.446809 0.797297
277 7DD 0.446809 0.971429
278 UCA 0.446667 0.775281
279 93P 0.446667 0.784091
280 COD 0.445378 0.8
281 NAD 0.445378 0.917808
282 NA0 0.444444 0.918919
283 3DH 0.443182 0.76
284 AR6 AR6 0.441441 0.90411
285 CNA 0.440678 0.918919
286 TYR AMP 0.440367 0.868421
287 NEC 0.43956 0.733333
288 MYR AMP 0.439252 0.804878
289 TM1 0.439252 0.783133
290 A U C C 0.438462 0.835443
291 A3D 0.438017 0.905405
292 5X8 0.4375 0.75
293 A3T 0.4375 0.808219
294 AMP DBH 0.436364 0.88
295 V1N 0.436364 0.90411
296 A G U 0.43609 0.82716
297 NAE 0.435484 0.881579
298 J7C 0.434783 0.75641
299 AS 0.434783 0.844156
300 93M 0.432258 0.784091
301 ADJ 0.432203 0.839506
302 YLC 0.431034 0.82716
303 YLB 0.431034 0.807229
304 S4M 0.430108 0.655172
305 JB6 0.429907 0.87013
306 0O2 0.429907 0.918919
307 ZID 0.428571 0.905405
308 A5D 0.428571 0.773333
309 OXT 0.428571 0.741935
310 ANZ 0.428571 0.810127
311 3AD 0.428571 0.816901
312 MAO 0.425532 0.746988
313 G5A 0.424242 0.767442
314 DSH 0.423913 0.7125
315 IOT 0.423729 0.819277
316 2VA 0.42268 0.786667
317 SFG 0.42268 0.736842
318 EAD 0.421875 0.860759
319 AHZ 0.421053 0.804878
320 NAQ 0.420635 0.858974
321 3NZ 0.420561 0.769231
322 HMG 0.42029 0.761364
323 YLA 0.420168 0.807229
324 A3N 0.419355 0.773333
325 CPA 0.418803 0.814815
326 DZD 0.418033 0.871795
327 CO7 0.41791 0.793103
328 QQY 0.417582 0.826667
329 103 0.417582 0.849315
330 ACK 0.417582 0.873239
331 LPA AMP 0.417391 0.804878
332 AYB 0.416667 0.797619
333 ZZB 0.416667 0.783133
334 BSJ 0.416149 0.766667
335 7MD 0.415929 0.85
336 GJV 0.414894 0.7375
337 PLM COA 0.414286 0.744444
338 COA PLM 0.414286 0.744444
339 COA MYR 0.414286 0.744444
340 ZDA 0.414141 0.876712
341 NVA 2AD 0.414141 0.753247
342 SA8 0.414141 0.695122
343 TSB 0.413462 0.807229
344 D3Y 0.413462 0.776316
345 TAD 0.412281 0.871795
346 U G A 0.411765 0.82716
347 A5A 0.411765 0.795181
348 A6D 0.411215 0.710843
349 AF3 ADP 3PG 0.410256 0.825
350 ALF ADP 3PG 0.410256 0.825
351 LA8 ALF 3PG 0.410256 0.825
352 SAI 0.41 0.721519
353 VRT 0.41 0.75641
354 SO8 0.41 0.776316
355 SAH 0.41 0.730769
356 NDE 0.409091 0.918919
357 P1H 0.409091 0.839506
358 ARG AMP 0.408696 0.817073
359 SSA 0.407767 0.788235
360 SMM 0.407767 0.674419
361 7MC 0.40678 0.829268
362 QQX 0.406593 0.815789
363 BT5 0.406504 0.819277
364 4BN 0.406061 0.741935
365 5TW 0.406061 0.741935
366 SAM 0.405941 0.678571
367 M24 0.404762 0.8375
368 6FA 0.404412 0.829268
369 IMO 0.404255 0.915493
370 7DT 0.40404 0.971429
371 VMS 0.403846 0.776471
372 52H 0.403846 0.767442
373 54H 0.403846 0.776471
374 NDC 0.402985 0.858974
375 A7D 0.402062 0.763158
376 EEM 0.401961 0.678571
377 NAD IBO 0.401639 0.857143
378 53H 0.4 0.767442
379 5CA 0.4 0.788235
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U1B; Ligand: PAX; Similar sites found: 34
This union binding pocket(no: 1) in the query (biounit: 1u1b.bio2) has 72 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LGS ADE 0.0123 0.43463 None
2 4NS0 PIO 0.01451 0.43442 None
3 5MX4 HPA 0.01777 0.42183 None
4 3FGZ BEF 0.01765 0.41138 None
5 2WBV SIA 0.02276 0.41081 None
6 1DKU AP2 0.02428 0.41068 None
7 1Z0N BCD 0.03704 0.40814 None
8 5V4R MGT 0.03366 0.40225 None
9 4OIT BMA 0.03948 0.40156 None
10 4UCI GTP 0.01986 0.40591 2.41935
11 4FFG 0U8 0.04816 0.40324 2.41935
12 4YEE 4CQ 0.02658 0.41682 3.33333
13 2PS1 ORO 0.02958 0.40811 4.03226
14 1U1J C2F 0.04249 0.40349 4.03226
15 1LR8 IHS 0.003977 0.47662 5.40541
16 3ZJX BOG 0.01592 0.42939 5.64516
17 5J3Z 6FQ 0.0268 0.42027 5.64516
18 1J78 OLA 0.02474 0.41083 5.64516
19 2WR1 NAG 0.008251 0.46641 6.45161
20 3SQP 3J8 0.04242 0.40262 6.45161
21 2WH8 II2 0.03823 0.40223 6.45161
22 2R5A MLZ 0.009266 0.42631 7.25806
23 4DS0 A2G GAL NAG FUC 0.03821 0.41039 7.25806
24 1YXM ADE 0.02901 0.40703 7.25806
25 1KJ1 MAN 0.01671 0.42542 7.33945
26 4DOO DAO 0.02411 0.4018 8.06452
27 1IYB 5GP 0.01712 0.42056 8.87097
28 1JZN BGC GAL 0.0465 0.409 9.67742
29 5HDA SER MET PRO GLU LEU SER PRO VAL LEU 0.03119 0.40786 11.2903
30 4V3I ASP LEU THR ARG PRO 0.02833 0.41649 12.0968
31 2W5P CL8 0.01308 0.43775 12.9032
32 2Y69 CHD 0.03623 0.41235 12.9032
33 4RW3 TDA 0.01514 0.43795 21.7742
34 2GMK AMP 0.0000003213 0.72677 40.3846
35 5E13 5J9 0.000000625 0.69015 50
Pocket No.: 2; Query (leader) PDB : 1U1B; Ligand: PAX; Similar sites found: 9
This union binding pocket(no: 2) in the query (biounit: 1u1b.bio1) has 64 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4OIT MAN 0.005764 0.46303 None
2 5HJQ I3P 0.03721 0.40095 2.41935
3 5B19 TLA 0.02127 0.41563 4.83871
4 3DWQ NGC GAL NGA POL AZI 0.03886 0.40736 5.55556
5 3F5A SIA GAL NAG 0.03887 0.41557 8.06452
6 1NC4 DOF 0.04989 0.40027 14.5161
7 1NC2 DOE 0.04917 0.40026 14.5161
8 1U5R ATP 0.02206 0.40039 16.9355
9 1PVC ILE SER GLU VAL 0.02571 0.40151 20.5882
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