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 (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: UPA; Similar ligands found: 235
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 25A 0.626168 0.907895
8 A U 0.608333 0.960526
9 25L 0.59292 0.921053
10 A2D 0.58 0.933333
11 ADP 0.578431 0.907895
12 AN2 0.572816 0.896104
13 A22 0.572727 0.921053
14 PRX 0.571429 0.8375
15 BA3 0.568627 0.933333
16 U G A 0.568345 0.901235
17 SAP 0.566038 0.8625
18 AGS 0.566038 0.8625
19 A 0.565657 0.881579
20 AMP 0.565657 0.881579
21 AP5 0.563107 0.933333
22 B4P 0.563107 0.933333
23 ADQ 0.5625 0.934211
24 ATP 0.561905 0.907895
25 AQP 0.556604 0.907895
26 5FA 0.556604 0.907895
27 CA0 0.552381 0.909091
28 M33 0.552381 0.896104
29 ADX 0.552381 0.821429
30 50T 0.54717 0.871795
31 ACP 0.54717 0.884615
32 ATF 0.545455 0.873418
33 SRA 0.544554 0.8375
34 CG2 0.543307 0.925
35 APR 0.542056 0.907895
36 AR6 0.542056 0.907895
37 ANP 0.541284 0.884615
38 ACQ 0.541284 0.884615
39 U A A U 0.540741 0.948052
40 AD9 0.537037 0.884615
41 ABM 0.533981 0.858974
42 A U C C 0.532374 0.935897
43 G3A 0.528926 0.8875
44 TAT 0.527273 0.873418
45 5SV 0.526316 0.797619
46 PUA 0.526316 0.924051
47 OAD 0.525862 0.909091
48 G5P 0.52459 0.8875
49 AMP MG 0.524272 0.835443
50 A12 0.52381 0.873418
51 AP2 0.52381 0.873418
52 5AL 0.522523 0.896104
53 A G U 0.517483 0.901235
54 APC 0.513761 0.873418
55 SRP 0.513274 0.897436
56 AU1 0.509259 0.884615
57 4AD 0.508621 0.886076
58 PAJ 0.508621 0.876543
59 A1R 0.508621 0.875
60 4UV 0.508197 0.910256
61 3OD 0.504202 0.909091
62 1ZZ 0.504202 0.811765
63 BIS 0.504202 0.851852
64 4UU 0.5 0.910256
65 ADP BMA 0.5 0.909091
66 T5A 0.5 0.902439
67 OOB 0.5 0.921053
68 8QN 0.5 0.896104
69 6V0 0.496063 0.935897
70 GTA 0.496 0.855422
71 PR8 0.495798 0.843373
72 WAQ 0.495798 0.851852
73 AMO 0.495726 0.897436
74 RBY 0.495495 0.873418
75 ADV 0.495495 0.873418
76 ADP MG 0.495413 0.848101
77 OMR 0.492188 0.823529
78 TXE 0.492188 0.948052
79 PTJ 0.491667 0.841463
80 FYA 0.491667 0.871795
81 AHX 0.491525 0.8875
82 00A 0.491525 0.875
83 DLL 0.491525 0.921053
84 ADP BEF 0.490909 0.82716
85 BEF ADP 0.490909 0.82716
86 U2P 0.49 0.828947
87 SFB 0.488372 0.808989
88 3UK 0.487395 0.909091
89 A4P 0.484615 0.880952
90 NAI 0.484375 0.948052
91 TXD 0.484375 0.923077
92 9SN 0.483607 0.864198
93 LAD 0.483333 0.853659
94 ADP PO3 0.482143 0.881579
95 ATR 0.482143 0.881579
96 ME8 0.479339 0.811765
97 TXA 0.479339 0.897436
98 NB8 0.479339 0.864198
99 MAP 0.478632 0.8625
100 ATP MG 0.477876 0.848101
101 UPU 0.477477 0.866667
102 5AS 0.477064 0.755556
103 AP0 0.476923 0.911392
104 AFH 0.47619 0.876543
105 ANP MG 0.474138 0.839506
106 GAP 0.473684 0.884615
107 NAX 0.472868 0.9125
108 4UW 0.472868 0.876543
109 SON 0.472727 0.873418
110 A2R 0.470085 0.896104
111 A2P 0.46789 0.868421
112 FA5 0.467742 0.897436
113 YAP 0.467742 0.886076
114 JB6 0.467213 0.851852
115 G A A A 0.466667 0.864198
116 ALF ADP 0.465517 0.817073
117 ADP ALF 0.465517 0.817073
118 XAH 0.464 0.833333
119 NA7 0.46281 0.873418
120 VO4 ADP 0.461538 0.871795
121 ADP VO4 0.461538 0.871795
122 RAB 0.459184 0.813333
123 ADN 0.459184 0.813333
124 XYA 0.459184 0.813333
125 A A 0.459016 0.883117
126 TYM 0.458015 0.897436
127 LAQ 0.457364 0.811765
128 PAP 0.45614 0.894737
129 GPG 0.455285 0.9
130 ADJ 0.455224 0.845238
131 A3P 0.454545 0.881579
132 YLP 0.453846 0.813953
133 48N 0.453846 0.864198
134 DAL AMP 0.453782 0.871795
135 3AM 0.45283 0.868421
136 MYR AMP 0.451613 0.790698
137 NXX 0.450382 0.922078
138 DND 0.450382 0.922078
139 4TA 0.445255 0.86747
140 ATP A A A 0.444444 0.894737
141 EAD 0.444444 0.9125
142 PPS 0.444444 0.8
143 YLB 0.443609 0.813953
144 2AM 0.443396 0.881579
145 U A G G 0.442029 0.851852
146 AOC 0.440367 0.792208
147 ODP 0.437956 0.924051
148 UCG 0.4375 0.876543
149 IOT 0.437037 0.804598
150 BTX 0.434783 0.813953
151 2A5 0.434783 0.860759
152 YLC 0.432836 0.855422
153 P1H 0.432432 0.890244
154 BT5 0.431655 0.804598
155 A4D 0.431373 0.789474
156 AR6 AR6 0.430769 0.883117
157 AYB 0.430657 0.804598
158 CNA 0.430657 0.922078
159 ITT 0.429825 0.857143
160 PUP 0.429752 0.797468
161 Z5A 0.427586 0.837209
162 G5A 0.42735 0.775281
163 NAJ PZO 0.425532 0.8875
164 U A C C 0.425532 0.923077
165 0WD 0.42446 0.935897
166 COD 0.42446 0.806818
167 NAD 0.42446 0.921053
168 P5A 0.424 0.741935
169 V3L 0.423729 0.883117
170 YLA 0.423358 0.835294
171 NDP 0.423358 0.935897
172 5N5 0.421569 0.789474
173 7D5 0.420561 0.822785
174 TXP 0.42029 0.911392
175 7MD 0.419847 0.855422
176 7D3 0.419643 0.848101
177 YLY 0.41958 0.804598
178 TYR AMP 0.418605 0.873418
179 A3D 0.41844 0.909091
180 UDP 0.418182 0.842105
181 OVE 0.418182 0.848101
182 TSB 0.418033 0.793103
183 5CA 0.418033 0.795455
184 5CD 0.417476 0.753247
185 7D4 0.417391 0.848101
186 A5A 0.416667 0.781609
187 GDU 0.416667 0.868421
188 AV2 0.416667 0.835443
189 GUD 0.416667 0.868421
190 UPG 0.416667 0.868421
191 TAD 0.416667 0.853659
192 3DH 0.416667 0.725
193 UFM 0.416667 0.868421
194 AMP DBH 0.415385 0.860759
195 NAQ 0.413793 0.864198
196 AHZ 0.413534 0.790698
197 ARG AMP 0.413534 0.802326
198 SSA 0.413223 0.795455
199 NPW 0.413043 0.901235
200 FDA 0.411765 0.870588
201 62F 0.411392 0.878049
202 NSS 0.41129 0.775281
203 LPA AMP 0.410448 0.790698
204 NZQ 0.410072 0.924051
205 54H 0.409836 0.764045
206 VMS 0.409836 0.764045
207 52H 0.409836 0.755556
208 6FA 0.409091 0.857143
209 6AD 0.408333 0.831325
210 NVA LMS 0.408 0.73913
211 NJP 0.407143 0.910256
212 UTP 0.40708 0.842105
213 NAE 0.406897 0.886076
214 53H 0.406504 0.755556
215 U2F 0.406504 0.825
216 UPF 0.406504 0.825
217 EP4 0.40566 0.707317
218 6RE 0.405405 0.714286
219 URM 0.404959 0.857143
220 660 0.404959 0.857143
221 AF3 ADP 3PG 0.404412 0.809524
222 NDE 0.403974 0.897436
223 FAS 0.403846 0.86747
224 FAD 0.403846 0.86747
225 SFD 0.403846 0.75
226 MAO 0.403509 0.715909
227 DTA 0.401869 0.759494
228 M2T 0.401869 0.690476
229 U5P 0.401869 0.828947
230 7C5 0.401515 0.790123
231 DZD 0.401408 0.876543
232 ZID 0.401361 0.909091
233 LSS 0.4 0.73913
234 M24 0.4 0.843373
235 DSZ 0.4 0.775281
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DJV; Ligand: C3P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3djv.bio1) has 49 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3DJV; Ligand: C3P; Similar sites found: 7
This union binding pocket(no: 2) in the query (biounit: 3djv.bio1) has 51 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YMZ LAT 0.007492 0.47427 None
2 5E89 TD2 0.04583 0.4016 None
3 1KJ1 MAN 0.03921 0.43185 1.83486
4 4WVW SLT 0.0483 0.41305 4.03226
5 1A78 TDG 0.01576 0.44946 4.83871
6 5DG2 GAL GLC 0.007276 0.4809 11.2903
7 2GMK AMP 0.0000003466 0.82601 32.6923
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