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Receptor
PDB id Resolution Class Description Source Keywords
1RND 1.5 Å EC: 3.1.27.5 NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLEASE BOS TAURUS HYDROLASE(ENDORIBONUCLEASE)
Ref.: NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLE J.MOL.BIOL. V. 224 265 1992
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DGP A:126;
Valid;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc2...
SO4 A:125;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
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: DGP; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 DGP 1 1
2 DG 1 1
3 DGI 0.815789 0.986842
4 DGT 0.775 0.986842
5 DG DG 0.693182 0.925
6 DI 0.62963 0.973333
7 5GP 0.60241 0.922078
8 G 0.60241 0.922078
9 CGP 0.596154 0.925926
10 DC DG 0.575472 0.902439
11 GDP 0.516484 0.910256
12 GH3 0.515789 0.935065
13 DA 0.511905 0.894737
14 D5M 0.511905 0.894737
15 3GP 0.505747 0.909091
16 2GP 0.505747 0.922078
17 GP3 0.505495 0.8875
18 G3D 0.505263 0.922078
19 GTP 0.5 0.910256
20 GP2 0.5 0.924051
21 G4P 0.494845 0.922078
22 GNH 0.494624 0.898734
23 P2G 0.494382 0.871795
24 G2P 0.489583 0.924051
25 GMP 0.487805 0.797468
26 ALF 5GP 0.484211 0.833333
27 GMV 0.484211 0.8875
28 P1G 0.483516 0.884615
29 G2R 0.48 0.948718
30 GAV 0.479592 0.876543
31 GCP 0.479167 0.911392
32 G1R 0.479167 0.898734
33 6OG 0.477778 0.886076
34 0O2 0.475248 0.922078
35 GNP 0.474227 0.8875
36 9GM 0.474227 0.8875
37 GSP 0.474227 0.865854
38 3PD UM3 0.473214 0.878049
39 DOI 0.47191 0.87013
40 DG DA DC DG 0.469697 0.891566
41 DG DC 0.466667 0.9375
42 GPG 0.460784 0.876543
43 GPX 0.46 0.909091
44 GDP ALF 0.455446 0.833333
45 ALF GDP 0.455446 0.833333
46 CF2 0.451613 0.811765
47 3ZE 0.451613 0.897436
48 DA DU DG DA 0.451327 0.845238
49 GPD 0.449541 0.890244
50 GDC 0.443396 0.876543
51 Y9Z 0.443396 0.869048
52 GKE 0.443396 0.876543
53 GDD 0.443396 0.876543
54 GCP G 0.442308 0.884615
55 DA DC DG DA 0.442029 0.925926
56 GDP AF3 0.441176 0.833333
57 G3A 0.435185 0.8875
58 YGP 0.433962 0.845238
59 DC DG DA DC 0.431818 0.91358
60 G5P 0.431193 0.8875
61 SGP 0.430108 0.817073
62 JB2 0.427273 0.876543
63 GDR 0.425926 0.876543
64 G G 0.425926 0.8875
65 GFB 0.425926 0.876543
66 GTG 0.425926 0.855422
67 DAT 0.425532 0.896104
68 6CK 0.422018 0.855422
69 DT DA DC DG 0.42069 0.870588
70 DC DG DT DA 0.417808 0.870588
71 GKD 0.414414 0.876543
72 DU DU DU DU BRU DG DU 0.414062 0.827586
73 BGO 0.413793 0.865854
74 U2G 0.413793 0.855422
75 GDX 0.410714 0.8875
76 DTP 0.408163 0.896104
77 CG2 0.40678 0.855422
78 AS 0.406593 0.85
79 GDP 7MG 0.405405 0.853659
80 JB3 0.405172 0.865854
81 UCG 0.404762 0.876543
82 8OG 0.404255 0.855422
83 FEG 0.401709 0.869048
84 NGD 0.401709 0.876543
85 G A A A 0.4 0.864198
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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