Receptor
PDB id Resolution Class Description Source Keywords
11BA 2.06 Å EC: 3.1.27.5 BINDING OF A SUBSTRATE ANALOGUE TO A DOMAIN SWAPPING PROTEIN COMPLEX OF BOVINE SEMINAL RIBONUCLEASE WITH URIDYLYL-2',5'- BOS TAURUS HYDROLASE PHOSPHORIC DIESTER RNA 2-prime -5-prime -DINUCLEOTIDE
Ref.: BINDING OF A SUBSTRATE ANALOG TO A DOMAIN SWAPPING X-RAY STRUCTURE OF THE COMPLEX OF BOVINE SEMINAL RIBONUCLEASE WITH URIDYLYL(2',5')ADENOSINE. PROTEIN SCI. V. 7 1691 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:127;
B:128;
B:129;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
UPA A:125;
B:126;
Valid;
Valid;
none;
none;
submit data
573.407 C19 H24 N7 O12 P c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DJV 1.6 Å EC: 3.1.27.5 BOVINE SEMINAL RIBONUCLEASE- CYTIDINE 3' PHOSPHATE COMPLEX BOS TAURUS RIBONUCLEASE HYDROLASE ALLOSTERIC ENZYME ENDONUCLEASE NUSECRETED
Ref.: MAPPING THE RIBONUCLEOLYTIC ACTIVE SITE OF BOVINE S RIBONUCLEASE. THE BINDING OF PYRIMIDINYL PHOSPHONUC INHIBITORS EUR.J.MED.CHEM. V. 44 4496 2009
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 11BA - UPA C19 H24 N7 O12 P c1nc(c2c(n....
2 1TQ9 - CPA C19 H25 N8 O9 P c1nc(c2c(n....
3 3DJO Ki = 40.8 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
4 1N3Z - U3P C9 H13 N2 O9 P C1=CN(C(=O....
5 3DJV Ki = 27.9 uM C3P C9 H14 N3 O8 P C1=CN(C(=O....
6 1R5C - CPA C19 H25 N8 O9 P c1nc(c2c(n....
7 3DJQ Ki = 1046.4 uM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
8 3DJP Ki = 63.2 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
9 3DJX Ki = 1557 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
10 11BG - U2G C19 H24 N7 O13 P c1nc2c(n1[....
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: UPA; Similar ligands found: 273
No: Ligand ECFP6 Tc MDL keys Tc
1 UPA 1 1
2 UP5 0.711712 0.986667
3 4TC 0.699115 0.961039
4 U2G 0.686957 0.925
5 APU 0.678261 0.960526
6 139 0.652542 0.961538
7 U A 0.634146 0.948052
8 25A 0.626168 0.907895
9 A U 0.608333 0.960526
10 25L 0.59292 0.921053
11 A2D 0.58 0.933333
12 ADP 0.578431 0.907895
13 AN2 0.572816 0.896104
14 A22 0.572727 0.921053
15 PRX 0.571429 0.8375
16 BA3 0.568627 0.933333
17 AGS 0.566038 0.8625
18 SAP 0.566038 0.8625
19 AMP 0.565657 0.881579
20 A 0.565657 0.881579
21 B4P 0.563107 0.933333
22 AP5 0.563107 0.933333
23 ADQ 0.5625 0.934211
24 ATP 0.561905 0.907895
25 HEJ 0.561905 0.907895
26 AT4 0.557692 0.873418
27 5FA 0.556604 0.907895
28 AQP 0.556604 0.907895
29 CA0 0.552381 0.909091
30 ADX 0.552381 0.821429
31 M33 0.552381 0.896104
32 HQG 0.54955 0.896104
33 KG4 0.54717 0.909091
34 ACP 0.54717 0.884615
35 50T 0.54717 0.871795
36 ATF 0.545455 0.873418
37 SRA 0.544554 0.8375
38 CG2 0.543307 0.925
39 APR 0.542056 0.907895
40 AR6 0.542056 0.907895
41 ACQ 0.541284 0.884615
42 ANP 0.541284 0.884615
43 U A A U 0.540741 0.948052
44 9X8 0.53913 0.8625
45 AD9 0.537037 0.884615
46 ABM 0.533981 0.858974
47 45A 0.533981 0.858974
48 A U C C 0.532374 0.935897
49 G3A 0.528926 0.8875
50 T99 0.527273 0.873418
51 TAT 0.527273 0.873418
52 8LH 0.526786 0.897436
53 6YZ 0.526786 0.884615
54 5SV 0.526316 0.797619
55 PUA 0.526316 0.924051
56 OAD 0.525862 0.909091
57 G5P 0.52459 0.8875
58 AP2 0.52381 0.873418
59 A12 0.52381 0.873418
60 8LE 0.522523 0.8625
61 5AL 0.522523 0.896104
62 A3R 0.521739 0.875
63 A G U 0.517483 0.901235
64 APC 0.513761 0.873418
65 SRP 0.513274 0.897436
66 A G U U 0.510204 0.901235
67 AU1 0.509259 0.884615
68 PAJ 0.508621 0.876543
69 A1R 0.508621 0.875
70 4AD 0.508621 0.886076
71 4UV 0.508197 0.910256
72 8LQ 0.504348 0.873418
73 3OD 0.504202 0.909091
74 BIS 0.504202 0.851852
75 1ZZ 0.504202 0.811765
76 OZV 0.5 0.907895
77 ADP MG 0.5 0.881579
78 ADP BMA 0.5 0.909091
79 8QN 0.5 0.896104
80 OOB 0.5 0.921053
81 4UU 0.5 0.910256
82 T5A 0.5 0.902439
83 6V0 0.496063 0.935897
84 GTA 0.496 0.855422
85 WAQ 0.495798 0.851852
86 PR8 0.495798 0.843373
87 AMO 0.495726 0.897436
88 RBY 0.495495 0.873418
89 ADV 0.495495 0.873418
90 TXE 0.492188 0.948052
91 OMR 0.492188 0.823529
92 FYA 0.491667 0.871795
93 PTJ 0.491667 0.841463
94 00A 0.491525 0.875
95 DLL 0.491525 0.921053
96 AHX 0.491525 0.8875
97 U2P 0.49 0.828947
98 SFB 0.488372 0.808989
99 3UK 0.487395 0.909091
100 A4P 0.484615 0.880952
101 NAI 0.484375 0.948052
102 TXD 0.484375 0.923077
103 9SN 0.483607 0.864198
104 B5V 0.483333 0.897436
105 LAD 0.483333 0.853659
106 ATR 0.482143 0.881579
107 APC MG 0.482143 0.858974
108 ATP MG 0.482143 0.881579
109 ADP PO3 0.482143 0.881579
110 B5M 0.479675 0.886076
111 B5Y 0.479675 0.886076
112 TXA 0.479339 0.897436
113 NB8 0.479339 0.864198
114 ME8 0.479339 0.811765
115 MAP 0.478632 0.8625
116 UPU 0.477477 0.866667
117 5AS 0.477064 0.755556
118 AP0 0.476923 0.911392
119 LMS 0.47619 0.77907
120 AFH 0.47619 0.876543
121 GAP 0.473684 0.884615
122 NAX 0.472868 0.9125
123 4UW 0.472868 0.876543
124 SON 0.472727 0.873418
125 DQV 0.472441 0.946667
126 A2R 0.470085 0.896104
127 A2P 0.46789 0.868421
128 FA5 0.467742 0.897436
129 YAP 0.467742 0.886076
130 JB6 0.467213 0.851852
131 G A A A 0.466667 0.864198
132 ALF ADP 0.465517 0.817073
133 ADP ALF 0.465517 0.817073
134 GA7 0.464567 0.897436
135 LQJ 0.464 0.907895
136 XAH 0.464 0.833333
137 NA7 0.46281 0.873418
138 9ZA 0.462185 0.851852
139 9ZD 0.462185 0.851852
140 ADP VO4 0.461538 0.871795
141 VO4 ADP 0.461538 0.871795
142 80F 0.459854 0.879518
143 9BG 0.459259 0.8875
144 ADN 0.459184 0.813333
145 XYA 0.459184 0.813333
146 RAB 0.459184 0.813333
147 A A 0.459016 0.883117
148 TYM 0.458015 0.897436
149 LAQ 0.457364 0.811765
150 PAP 0.45614 0.894737
151 GPG 0.455285 0.9
152 ADJ 0.455224 0.845238
153 A3P 0.454545 0.881579
154 YLP 0.453846 0.813953
155 48N 0.453846 0.864198
156 DAL AMP 0.453782 0.871795
157 3AM 0.45283 0.868421
158 MYR AMP 0.451613 0.790698
159 DND 0.450382 0.922078
160 NXX 0.450382 0.922078
161 A C A C 0.446043 0.935897
162 A G 0.445255 0.851852
163 4TA 0.445255 0.86747
164 ATP A A A 0.444444 0.894737
165 PPS 0.444444 0.8
166 ATP A 0.444444 0.894737
167 EAD 0.444444 0.9125
168 YLB 0.443609 0.813953
169 2AM 0.443396 0.881579
170 U A G G 0.442029 0.851852
171 AOC 0.440367 0.792208
172 ODP 0.437956 0.924051
173 UCG 0.4375 0.876543
174 IOT 0.437037 0.804598
175 BTX 0.434783 0.813953
176 2A5 0.434783 0.860759
177 YLC 0.432836 0.855422
178 P1H 0.432432 0.890244
179 BT5 0.431655 0.804598
180 A4D 0.431373 0.789474
181 AR6 AR6 0.430769 0.883117
182 AYB 0.430657 0.804598
183 CNA 0.430657 0.922078
184 ITT 0.429825 0.857143
185 PUP 0.429752 0.797468
186 8X1 0.429752 0.75
187 LRM 0.428571 0.860465
188 Z5A 0.427586 0.837209
189 G5A 0.42735 0.775281
190 TYR AMP 0.426357 0.8625
191 NAJ PZO 0.425532 0.8875
192 U A C C 0.425532 0.923077
193 0WD 0.42446 0.935897
194 COD 0.42446 0.806818
195 NAD 0.42446 0.921053
196 P5A 0.424 0.741935
197 V3L 0.423729 0.883117
198 G U 0.423358 0.888889
199 YLA 0.423358 0.835294
200 NDP 0.423358 0.935897
201 5N5 0.421569 0.789474
202 7D5 0.420561 0.822785
203 TXP 0.42029 0.911392
204 7MD 0.419847 0.855422
205 ARG AMP 0.419847 0.802326
206 7D3 0.419643 0.848101
207 YLY 0.41958 0.804598
208 A3D 0.41844 0.909091
209 UDP 0.418182 0.842105
210 OVE 0.418182 0.848101
211 5CA 0.418033 0.795455
212 TSB 0.418033 0.793103
213 5CD 0.417476 0.753247
214 7D4 0.417391 0.848101
215 F2R 0.417266 0.835294
216 AV2 0.416667 0.835443
217 A5A 0.416667 0.781609
218 GDU 0.416667 0.868421
219 UFM 0.416667 0.868421
220 TAD 0.416667 0.853659
221 GUD 0.416667 0.868421
222 UPG 0.416667 0.868421
223 3DH 0.416667 0.725
224 AMP DBH 0.415385 0.860759
225 H1Q 0.413793 0.846154
226 NAQ 0.413793 0.864198
227 AHZ 0.413534 0.790698
228 SSA 0.413223 0.795455
229 NPW 0.413043 0.901235
230 FDA 0.411765 0.870588
231 62F 0.411392 0.878049
232 NSS 0.41129 0.775281
233 LPA AMP 0.410448 0.790698
234 NZQ 0.410072 0.924051
235 54H 0.409836 0.764045
236 VMS 0.409836 0.764045
237 52H 0.409836 0.755556
238 6FA 0.409091 0.857143
239 6AD 0.408333 0.831325
240 NVA LMS 0.408 0.731183
241 NJP 0.407143 0.910256
242 UTP 0.40708 0.842105
243 6MZ 0.40708 0.846154
244 NAE 0.406897 0.886076
245 U2F 0.406504 0.825
246 UPF 0.406504 0.825
247 53H 0.406504 0.755556
248 EP4 0.40566 0.707317
249 6RE 0.405405 0.714286
250 660 0.404959 0.857143
251 URM 0.404959 0.857143
252 LEU LMS 0.404762 0.731183
253 AF3 ADP 3PG 0.404412 0.809524
254 NAJ PYZ 0.40411 0.845238
255 NDE 0.403974 0.897436
256 FAS 0.403846 0.86747
257 FAD 0.403846 0.86747
258 SFD 0.403846 0.75
259 U5F 0.403509 0.842105
260 MAO 0.403509 0.715909
261 JSQ 0.403361 0.8625
262 HFD 0.403361 0.8625
263 U5P 0.401869 0.828947
264 U 0.401869 0.828947
265 M2T 0.401869 0.690476
266 DTA 0.401869 0.759494
267 7C5 0.401515 0.790123
268 DZD 0.401408 0.876543
269 ZID 0.401361 0.909091
270 LSS 0.4 0.73913
271 8PZ 0.4 0.795455
272 DSZ 0.4 0.775281
273 M24 0.4 0.843373
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DJV; Ligand: C3P; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3djv.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
1 2GMK AMP 32.6923
Pocket No.: 2; Query (leader) PDB : 3DJV; Ligand: C3P; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 3djv.bio1) has 52 residues
No: Leader PDB Ligand Sequence Similarity
1 2GMK AMP 32.6923
APoc FAQ
Feedback