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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 (65)
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 5OGH - C3P C9 H14 N3 O8 P C1=CN(C(=O....
56 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
57 1F0V - DC DG n/a n/a
58 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
59 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
60 1Z6S Ki = 63 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
61 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
62 6F60 - DVW C27 H31 N7 O5 Pt CC1=CC=C2C....
63 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
64 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
65 5JLG - RU Ru [Ru+3]
70% 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 5OGH - C3P C9 H14 N3 O8 P C1=CN(C(=O....
56 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
57 1F0V - DC DG n/a n/a
58 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
59 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
60 1Z6S Ki = 63 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
61 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
62 6F60 - DVW C27 H31 N7 O5 Pt CC1=CC=C2C....
63 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
64 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
65 5JLG - RU Ru [Ru+3]
66 11BA - UPA C19 H24 N7 O12 P c1nc(c2c(n....
67 1TQ9 - CPA C19 H25 N8 O9 P c1nc(c2c(n....
68 3DJO Ki = 40.8 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
69 1N3Z - U3P C9 H13 N2 O9 P C1=CN(C(=O....
70 3DJV Ki = 27.9 uM C3P C9 H14 N3 O8 P C1=CN(C(=O....
71 1R5C - CPA C19 H25 N8 O9 P c1nc(c2c(n....
72 3DJQ Ki = 1046.4 uM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
73 3DJP Ki = 63.2 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
74 3DJX Ki = 1557 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
75 11BG - U2G C19 H24 N7 O13 P c1nc2c(n1[....
50% Homology Family (77)
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 5OGH - C3P C9 H14 N3 O8 P C1=CN(C(=O....
56 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
57 1F0V - DC DG n/a n/a
58 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
59 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
60 1Z6S Ki = 63 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
61 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
62 6F60 - DVW C27 H31 N7 O5 Pt CC1=CC=C2C....
63 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
64 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
65 5JLG - RU Ru [Ru+3]
66 11BA - UPA C19 H24 N7 O12 P c1nc(c2c(n....
67 1TQ9 - CPA C19 H25 N8 O9 P c1nc(c2c(n....
68 3DJO Ki = 40.8 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
69 1N3Z - U3P C9 H13 N2 O9 P C1=CN(C(=O....
70 3DJV Ki = 27.9 uM C3P C9 H14 N3 O8 P C1=CN(C(=O....
71 1R5C - CPA C19 H25 N8 O9 P c1nc(c2c(n....
72 3DJQ Ki = 1046.4 uM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
73 3DJP Ki = 63.2 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
74 3DJX Ki = 1557 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
75 11BG - U2G C19 H24 N7 O13 P c1nc2c(n1[....
76 5ARK - UMP C9 H13 N2 O8 P C1[C@@H]([....
77 2RNF - UM3 C9 H13 N2 O8 P C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PAX; Similar ligands found: 81
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 A A 0.503817 0.839506
12 THP 0.5 0.85
13 3AM 0.495575 0.814815
14 DT DA DC DG 0.494048 0.929412
15 DC DG DT DA 0.491124 0.929412
16 A U 0.485714 0.878049
17 A C A C 0.479452 0.857143
18 0WD 0.479167 0.902439
19 ADP BMA 0.476923 0.809524
20 A U C C 0.470968 0.857143
21 G A A A 0.468966 0.813953
22 APU 0.464789 0.901235
23 A G U 0.459119 0.848837
24 139 0.458333 0.903614
25 A A A 0.454545 0.841463
26 A A 0.451128 0.851852
27 U A C C 0.449664 0.86747
28 DT DT DT 0.449612 0.829268
29 DC DC DT DG 0.448529 0.829268
30 U A A U 0.448052 0.91358
31 ADP PO3 0.448 0.82716
32 U A G G 0.445946 0.823529
33 ALF ADP 0.445312 0.770115
34 ADP ALF 0.445312 0.770115
35 A G U U 0.445122 0.848837
36 VO4 ADP 0.44186 0.819277
37 ADP VO4 0.44186 0.819277
38 DU DU DU DU BRU DA DU 0.441718 0.872093
39 APC G U 0.44 0.823529
40 A G 0.439189 0.823529
41 DT DT DT DT DT 0.432836 0.853659
42 A 0.428571 0.82716
43 AMP 0.428571 0.82716
44 ETB 0.427632 0.763441
45 DT DC 0.426573 0.821429
46 DT DT PST 0.426471 0.790698
47 A2P 0.422764 0.8375
48 T3P 0.422414 0.82716
49 DCA 0.418301 0.793478
50 ATY 0.417323 0.809524
51 AR6 AR6 0.415493 0.829268
52 DG DA DC DG 0.414201 0.883721
53 0T1 0.412903 0.793478
54 COA 0.412903 0.793478
55 U A 0.411765 0.91358
56 SCO 0.411392 0.793478
57 CCQ 0.410714 0.762887
58 NMN AMP PO4 0.410596 0.901235
59 DT MA7 DT 0.409938 0.872093
60 FAM 0.408805 0.776596
61 TMP 0.408333 0.839506
62 ADP 0.408 0.829268
63 HAX 0.40625 0.776596
64 COA PLM 0.405882 0.75
65 PLM COA 0.405882 0.75
66 AMX 0.405063 0.802198
67 CAO 0.405063 0.768421
68 COS 0.405063 0.776596
69 30N 0.405063 0.73
70 NYM 0.404959 0.864198
71 FYN 0.403727 0.793478
72 7D5 0.403361 0.795181
73 ATR 0.403101 0.82716
74 A22 0.402985 0.841463
75 CMX 0.402516 0.793478
76 M33 0.401575 0.819277
77 PO4 PO4 A A A A PO4 0.40146 0.8375
78 COK 0.401235 0.776596
79 ACO 0.4 0.768421
80 FCX 0.4 0.768421
81 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: 81
This union binding pocket(no: 1) in the query (biounit: 1u1b.bio2) has 76 residues
No: Leader PDB Ligand Sequence Similarity
1 3B99 U51 None
2 3LGS ADE None
3 4NS0 PIO None
4 4OIT MAN None
5 2JDU MFU None
6 2BOI MFU None
7 4WGF HX2 None
8 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO None
9 3FGZ BEF None
10 6FS8 E4Z None
11 2WBV SIA None
12 1DKU AP2 None
13 3K3G MMU None
14 1Z0N BCD None
15 5NM7 GLY None
16 5G3L SIA None
17 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY None
18 5V4R MGT None
19 4OIT BMA None
20 1BW9 NAD None
21 1NJJ GET 1.6129
22 6A46 DCM 2.41935
23 4XPQ FUL 2.41935
24 3WCS MAN NAG 2.41935
25 4UCI GTP 2.41935
26 4FFG 0U8 2.41935
27 3BJE URA 3.22581
28 5C1M OLC 3.22581
29 4YEE 4CQ 3.33333
30 3BQF SSM 4.03226
31 2PS1 ORO 4.03226
32 1U1J C2F 4.03226
33 6BR8 PGV 4.83871
34 6DZN AE3 4.83871
35 2BCG GER 4.83871
36 1LR8 IHS 5.40541
37 1R6N 434 5.64516
38 3ZJX BOG 5.64516
39 5J3Z 6FQ 5.64516
40 2WR9 MAN MAN 5.64516
41 1J78 OLA 5.64516
42 1FNZ A2G 5.64516
43 5O22 C3R 5.64516
44 5HV7 RBL 6.45161
45 2WR1 NAG 6.45161
46 2EA1 GPG 6.45161
47 1JGS SAL 6.45161
48 3KP6 SAL 6.45161
49 4DW4 U5P 6.45161
50 3SQP 3J8 6.45161
51 2WH8 II2 6.45161
52 4RGA 3PV 6.45161
53 4YEF 4CQ 6.74157
54 2R5A MLZ 7.25806
55 4DS0 A2G GAL NAG FUC 7.25806
56 1YXM ADE 7.25806
57 6GNO XDI 7.25806
58 1KJ1 MAN 7.33945
59 5W8X UDP 8.06452
60 4DOO DAO 8.06452
61 4OGQ 1O2 8.87097
62 2VYT MLZ 8.87097
63 1IYB 5GP 8.87097
64 5OSW DIU 9.67742
65 1JZN BGC GAL 9.67742
66 1WOG 16D 11.2903
67 2OZ5 7XY 11.2903
68 5HDA SER MET PRO GLU LEU SER PRO VAL LEU 11.2903
69 4V3I ASP LEU THR ARG PRO 12.0968
70 4HVA 4HV 12.0968
71 2W5P CL8 12.9032
72 2Y69 CHD 12.9032
73 5LX9 OLB 14.5161
74 3NB0 G6P 17.7419
75 5Y02 HBX 17.757
76 5W7B MYR 18.5484
77 4V2O CLQ 19.5122
78 4RW3 TDA 21.7742
79 5ZCO CHD 27.1186
80 5Z84 CHD 27.1186
81 5W97 CHD 27.1186
82 5E13 5J9 50
Pocket No.: 2; Query (leader) PDB : 1U1B; Ligand: PAX; Similar sites found with APoc: 19
This union binding pocket(no: 2) in the query (biounit: 1u1b.bio1) has 69 residues
No: Leader PDB Ligand Sequence Similarity
1 3O5N BR0 None
2 5IFK HPA None
3 1G51 AMP 1.6129
4 5HJQ I3P 2.41935
5 2HIM ASN 3.22581
6 4M1U A2G MBG 4.03226
7 5B19 TLA 4.83871
8 5O2N FLC 4.83871
9 3DWQ NGC GAL NGA POL AZI 5.55556
10 6B8O PSF 5.64516
11 5F7J ADE 5.64516
12 3F5A SIA GAL NAG 8.06452
13 1URX AAL GAL AAL GAL AAL GAL AAL 8.87097
14 4LED XXR 10.4839
15 3KVY URA 12.0968
16 3MBI ADP 16.9355
17 1U5R ATP 16.9355
18 1PVC ILE SER GLU VAL 20.5882
19 2GMK AMP 40.3846
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