-->
Receptor
PDB id Resolution Class Description Source Keywords
1JN4 1.8 Å EC: 3.1.27.5 THE CRYSTAL STRUCTURE OF RIBONUCLEASE A IN COMPLEX WITH 2'- DEOXYURIDINE 3'-PYROPHOSPHATE (P'-5') ADENOSINE BOS TAURUS HYDROLASE RIBONUCLEASE ENDONUCLEASE NUCLEOTIDE INHIBITOR
Ref.: CLEAVAGE OF 3',5'-PYROPHOSPHATE-LINKED DINUCLEOTIDE RIBONUCLEASE A AND ANGIOGENIN BIOCHEMISTRY V. 40 10262 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
139 A:901;
Valid;
none;
Ki = 11.3 uM
637.388 C19 H25 N7 O14 P2 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 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: 139; Similar ligands found: 254
No: Ligand ECFP6 Tc MDL keys Tc
1 139 1 1
2 PUA 0.731092 0.962025
3 UP5 0.678261 0.948718
4 4TC 0.652542 0.925
5 UPA 0.652542 0.961538
6 A2D 0.61 0.897436
7 ADQ 0.603604 0.898734
8 BA3 0.598039 0.897436
9 SAP 0.59434 0.831325
10 AGS 0.59434 0.831325
11 ADP 0.592233 0.873418
12 AP5 0.592233 0.897436
13 B4P 0.592233 0.897436
14 ATP 0.590476 0.873418
15 HEJ 0.590476 0.873418
16 AQP 0.584906 0.873418
17 5FA 0.584906 0.873418
18 AD9 0.579439 0.851852
19 A3R 0.575221 0.9125
20 AT4 0.571429 0.841463
21 T5A 0.571429 0.939024
22 AN2 0.571429 0.8625
23 APR 0.570093 0.873418
24 AR6 0.570093 0.873418
25 M33 0.566038 0.8625
26 ACP 0.560748 0.851852
27 ATF 0.558559 0.841463
28 A22 0.557522 0.886076
29 U A 0.557252 0.9125
30 PRX 0.555556 0.829268
31 ACQ 0.554545 0.851852
32 ANP 0.554545 0.851852
33 ADX 0.551402 0.793103
34 A 0.54902 0.848101
35 AMP 0.54902 0.848101
36 A1R 0.547826 0.9125
37 A4P 0.543307 0.872093
38 A U 0.543307 0.924051
39 G3A 0.540984 0.855422
40 6YZ 0.539823 0.851852
41 CA0 0.537037 0.875
42 G5P 0.536585 0.855422
43 50T 0.53211 0.839506
44 APU 0.53125 0.924051
45 3OD 0.529412 0.875
46 9X8 0.525424 0.831325
47 OAD 0.525424 0.875
48 25L 0.525 0.886076
49 AFH 0.524194 0.845238
50 GTA 0.52 0.825581
51 ABM 0.518868 0.82716
52 BIS 0.516667 0.821429
53 SRA 0.514286 0.807229
54 APC 0.513514 0.864198
55 TAT 0.513274 0.841463
56 T99 0.513274 0.841463
57 25A 0.512821 0.873418
58 5SV 0.512821 0.811765
59 A12 0.509259 0.864198
60 AP2 0.509259 0.864198
61 5AL 0.508772 0.8625
62 4AD 0.508475 0.876543
63 4UV 0.508065 0.876543
64 NXX 0.507812 0.8875
65 DND 0.507812 0.8875
66 1ZZ 0.504132 0.825581
67 TXE 0.503876 0.936709
68 SRP 0.5 0.8875
69 4UU 0.5 0.876543
70 4TA 0.5 0.903614
71 NAI 0.496124 0.9125
72 6V0 0.496124 0.901235
73 WAQ 0.495868 0.865854
74 PR8 0.495868 0.879518
75 ADP PO3 0.495575 0.848101
76 AU1 0.495495 0.851852
77 FYA 0.491803 0.886076
78 00A 0.491667 0.843373
79 DLL 0.491667 0.886076
80 AHX 0.491667 0.878049
81 AP0 0.48855 0.878049
82 3UK 0.487603 0.875
83 ADP BMA 0.487603 0.875
84 OOB 0.487395 0.886076
85 8QN 0.487395 0.8625
86 DU DU DU DU BRU DA DU 0.486667 0.870588
87 NAX 0.484615 0.902439
88 TXD 0.484615 0.9125
89 4UW 0.484615 0.845238
90 DQV 0.484375 0.910256
91 PAJ 0.483333 0.845238
92 AMO 0.483333 0.8875
93 RBY 0.482456 0.864198
94 ADV 0.482456 0.864198
95 OMR 0.480916 0.837209
96 YAP 0.48 0.876543
97 FA5 0.48 0.8875
98 PTJ 0.479675 0.811765
99 ME8 0.479675 0.804598
100 MAP 0.478992 0.831325
101 Z5A 0.478873 0.872093
102 ADP ALF 0.478632 0.788235
103 ALF ADP 0.478632 0.788235
104 NAD 0.477941 0.886076
105 CPA 0.477273 0.925926
106 48N 0.476923 0.833333
107 UM3 0.475728 0.810127
108 U A A U 0.475524 0.9125
109 VO4 ADP 0.474576 0.839506
110 ADP VO4 0.474576 0.839506
111 GAP 0.474138 0.851852
112 CNA 0.474074 0.911392
113 SON 0.473214 0.864198
114 LAD 0.471545 0.86747
115 B5V 0.471545 0.864198
116 80F 0.471014 0.870588
117 A3D 0.471014 0.875
118 A U C C 0.469388 0.901235
119 B5Y 0.468254 0.853659
120 NB8 0.467742 0.855422
121 TXA 0.467742 0.864198
122 ADJ 0.466667 0.880952
123 DAL AMP 0.466667 0.839506
124 XAH 0.464567 0.847059
125 5AS 0.464286 0.75
126 LMS 0.462963 0.752809
127 FAS 0.460526 0.858824
128 FAD 0.460526 0.858824
129 9SN 0.460317 0.833333
130 TYM 0.458647 0.8875
131 PAX 0.458333 0.903614
132 A2R 0.458333 0.8625
133 LAQ 0.458015 0.825581
134 A G U 0.456954 0.869048
135 PAP 0.456897 0.860759
136 ATR 0.456897 0.848101
137 B5M 0.456693 0.853659
138 ITT 0.45614 0.825
139 GA7 0.453846 0.864198
140 MYR AMP 0.452381 0.804598
141 NA7 0.451613 0.8875
142 SFD 0.45098 0.744898
143 9ZA 0.45082 0.821429
144 9ZD 0.45082 0.821429
145 TYR AMP 0.449612 0.853659
146 F2R 0.449275 0.827586
147 IOT 0.448529 0.83908
148 2A5 0.448276 0.851852
149 A A 0.448 0.85
150 6FA 0.447368 0.848837
151 G A A A 0.446043 0.833333
152 RAB 0.445545 0.782051
153 XYA 0.445545 0.782051
154 ADN 0.445545 0.782051
155 ATP A A A 0.445312 0.860759
156 NAQ 0.444444 0.833333
157 SFB 0.444444 0.822222
158 YLP 0.443609 0.848837
159 7D4 0.443478 0.839506
160 BT5 0.442857 0.83908
161 8X1 0.442623 0.744681
162 A G U U 0.442308 0.869048
163 FDA 0.440789 0.862069
164 NJP 0.438849 0.876543
165 DUT 0.438596 0.8125
166 U2G 0.437956 0.891566
167 NAE 0.4375 0.853659
168 FAY 0.436709 0.869048
169 P5A 0.436508 0.774194
170 COD 0.435714 0.840909
171 BTX 0.435714 0.848837
172 EAD 0.435374 0.902439
173 RFL 0.433962 0.829545
174 YLB 0.433824 0.848837
175 7D3 0.433628 0.839506
176 NDE 0.433333 0.864198
177 PPS 0.433333 0.772727
178 P1H 0.433333 0.880952
179 ARG AMP 0.431818 0.795455
180 ZID 0.431507 0.875
181 A3P 0.429825 0.848101
182 AOC 0.428571 0.7625
183 HFD 0.428571 0.831325
184 ODP 0.428571 0.890244
185 DUD 0.428571 0.8125
186 NDC 0.427632 0.878049
187 3AM 0.427273 0.835443
188 NAJ PZO 0.426573 0.855422
189 A G 0.425532 0.821429
190 0WD 0.425532 0.901235
191 AMP NAD 0.425532 0.8625
192 3AT 0.425 0.85
193 DTP 0.425 0.8625
194 YLC 0.423358 0.869048
195 U A G G 0.422535 0.821429
196 JB6 0.421875 0.843373
197 6AD 0.421488 0.802326
198 AYB 0.421429 0.83908
199 FNK 0.421384 0.853933
200 62F 0.421384 0.869048
201 AR6 AR6 0.421053 0.85
202 YLY 0.42069 0.83908
203 GKE 0.419847 0.845238
204 GDC 0.419847 0.845238
205 GDD 0.419847 0.845238
206 AV2 0.418033 0.804878
207 TAD 0.41791 0.845238
208 A2P 0.417391 0.835443
209 AMP DBH 0.416667 0.829268
210 G5A 0.416667 0.769231
211 AF3 ADP 3PG 0.416058 0.781609
212 AVV 0.416 0.855422
213 DAT 0.415254 0.8625
214 AHZ 0.414815 0.764045
215 YLA 0.414286 0.870588
216 3PD UM3 0.414286 0.869048
217 NDP 0.414286 0.901235
218 MTA 0.412844 0.698795
219 NSS 0.412698 0.769231
220 DZD 0.412587 0.890244
221 N0B 0.412162 0.892857
222 LPA AMP 0.411765 0.804598
223 VMS 0.41129 0.73913
224 54H 0.41129 0.73913
225 FA9 0.410714 0.870588
226 7MD 0.410448 0.869048
227 5N5 0.409524 0.759494
228 ARU 0.409449 0.761364
229 NVA LMS 0.409449 0.726316
230 DU 0.409091 0.8
231 UMP 0.409091 0.8
232 7D5 0.409091 0.814815
233 FB0 0.409091 0.833333
234 TSB 0.408 0.766667
235 UFM 0.406504 0.835443
236 UPG 0.406504 0.835443
237 GDU 0.406504 0.835443
238 A5A 0.406504 0.755556
239 GUD 0.406504 0.835443
240 LEU LMS 0.40625 0.726316
241 9JJ 0.406061 0.825581
242 A4D 0.40566 0.759494
243 5CD 0.40566 0.725
244 NAJ PYZ 0.405405 0.816092
245 3DH 0.405405 0.698795
246 NPW 0.404255 0.891566
247 SSA 0.403226 0.788889
248 NAP 0.402685 0.875
249 DSZ 0.401575 0.769231
250 NZQ 0.401408 0.890244
251 TXP 0.401408 0.901235
252 M24 0.401361 0.813953
253 52H 0.4 0.731183
254 TAP 0.4 0.821429
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
APoc FAQ
Feedback