Receptor
PDB id Resolution Class Description Source Keywords
2XJC 2 Å EC: 3.1.3.5 CRYSTAL STRUCTURE OF THE D52N VARIANT OF CYTOSOLIC 5'-NUCLEO II IN COMPLEX WITH GUANOSINE MONOPHOSPHATE AND DIADENOSINE T ETRAPHOSPHATE HOMO SAPIENS ALLOSTERIC ENZYME CN-II GMP-IMP SPECIFIC NUCLEOTIDASE HIG5-PRIME NUCLEOTIDASE HYDROLASE METAL-BINDING NT5C2 NUCLMETABOLISM NUCLEOTIDE-BINDING PHOSPHOPROTEIN
Ref.: STRUCTURAL BASIS FOR THE ALLOSTERIC REGULATION AND SUBSTRATE RECOGNITION OF HUMAN CYTOSOLIC 5'-NUCLEOT J.MOL.BIOL. V. 408 684 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5GP A:1489;
 Valid;
 none;
 submit data
363.221 C10 H14 N5 O8 P c1nc2...
B4P A:1490;
 Valid;
 none;
 submit data
836.387 C20 H28 N10 O19 P4 c1nc(...
GOL A:1491;
A:1492;
A:1493;
A:1494;
A:1495;
A:1496;
A:1497;
A:1498;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
MG A:1499;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JC9 1.5 Å EC: 3.1.3.5 CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC 5'-NUCLEOTIDASE II IN COMPLEX WITH ADENOSINE HOMO SAPIENS CYTOSOLIC 5-PRIME NUCLEOTIDASE II GMP-IMP SPECIFIC NUCLEOTIDASE CN-II NT5C2 HYDROLASE POLYMORPHISM CYTOSOLIC PURINE 5-PRIME NUCLEOTIDASE ALLOSTERIC ENZYME HIGH KM 5-PRIME NUCLEOTIDASE
Ref.: CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC 5'-NUCLEOTIDASE II: INSIGHTS INTO ALLOSTERIC REGULATION AND SUBSTRATE RECOGNITION J.BIOL.CHEM. V. 282 17828 2007
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2JC9 - ADN C10 H13 N5 O4 c1nc(c2c(n....
2 2XJF - DG2 C3 H8 O10 P2 C([C@H](C(....
3 2XJE - U5P C9 H13 N2 O9 P C1=CN(C(=O....
4 2XCV - IMP C10 H13 N4 O8 P c1nc2c(n1[....
5 2XJD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 6DE2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 2XCW - IMP C10 H13 N4 O8 P c1nc2c(n1[....
8 2XJC - B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
9 6DDZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 2XJB - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2JC9 - ADN C10 H13 N5 O4 c1nc(c2c(n....
2 2XJF - DG2 C3 H8 O10 P2 C([C@H](C(....
3 2XJE - U5P C9 H13 N2 O9 P C1=CN(C(=O....
4 2XCV - IMP C10 H13 N4 O8 P c1nc2c(n1[....
5 2XJD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 6DE2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 2XCW - IMP C10 H13 N4 O8 P c1nc2c(n1[....
8 2XJC - B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
9 6DDZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 2XJB - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
11 5OPK - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
12 5OPM - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2JC9 - ADN C10 H13 N5 O4 c1nc(c2c(n....
2 2XJF - DG2 C3 H8 O10 P2 C([C@H](C(....
3 2XJE - U5P C9 H13 N2 O9 P C1=CN(C(=O....
4 2XCV - IMP C10 H13 N4 O8 P c1nc2c(n1[....
5 2XJD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 6DE2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 2XCW - IMP C10 H13 N4 O8 P c1nc2c(n1[....
8 2XJC - B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
9 6DDZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 2XJB - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
11 5OPK - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
12 5OPM - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5GP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 G 1 1
2 5GP 1 1
3 GDP 0.828947 0.986486
4 GP3 0.815789 0.960526
5 GP2 0.805195 0.948052
6 GTP 0.797468 0.986486
7 GNH 0.794872 0.973333
8 G2P 0.777778 0.948052
9 GMV 0.775 0.960526
10 GCP 0.765432 0.960526
11 G1R 0.765432 0.973333
12 GAV 0.759036 0.948052
13 GSP 0.756098 0.935897
14 GNP 0.756098 0.960526
15 9GM 0.756098 0.960526
16 ALF 5GP 0.753086 0.9
17 GDP BEF 0.743902 0.947368
18 GTP MG 0.73494 0.972973
19 GMP 0.732394 0.866667
20 GPG 0.724138 0.948052
21 G2R 0.712644 0.948052
22 GDP ALF 0.701149 0.9
23 GDP AF3 0.701149 0.9
24 GKE 0.692308 0.948052
25 GDC 0.692308 0.948052
26 Y9Z 0.692308 0.890244
27 GDD 0.692308 0.948052
28 YGP 0.681319 0.9125
29 G3A 0.677419 0.960526
30 G5P 0.670213 0.960526
31 KB7 0.666667 0.8375
32 GFB 0.666667 0.948052
33 GDR 0.666667 0.948052
34 GTG 0.666667 0.924051
35 6CK 0.659574 0.924051
36 3GP 0.65 0.959459
37 JB2 0.645833 0.948052
38 GKD 0.645833 0.948052
39 GDX 0.639175 0.960526
40 GPD 0.639175 0.9125
41 GDP 7MG 0.635417 0.923077
42 G3D 0.617977 0.972973
43 U2G 0.617647 0.924051
44 KBD 0.612903 0.8375
45 2GP 0.609756 0.946667
46 IMP 0.609756 0.972603
47 JB3 0.607843 0.935897
48 CG2 0.605769 0.924051
49 G4P 0.604396 0.972973
50 DG 0.60241 0.922078
51 DGP 0.60241 0.922078
52 NGD 0.601942 0.948052
53 FEG 0.601942 0.890244
54 ZGP 0.596154 0.879518
55 0O2 0.595745 0.972973
56 KBJ 0.587629 0.807229
57 2MD 0.584906 0.879518
58 G7M 0.583333 0.960526
59 CAG 0.583333 0.869048
60 MGD 0.568807 0.879518
61 DBG 0.566372 0.935897
62 MD1 0.5625 0.879518
63 PGD 0.5625 0.9125
64 P2G 0.55814 0.894737
65 FE9 0.553571 0.784946
66 P1G 0.545455 0.883117
67 GH3 0.542553 0.96
68 I2C FE2 CMO CMO 0.539823 0.818182
69 TPG 0.53913 0.829545
70 GPX 0.53125 0.933333
71 DGI 0.527473 0.910256
72 G1R G1R 0.525862 0.911392
73 PGD O 0.521368 0.83908
74 DGT 0.521277 0.910256
75 G4M 0.520325 0.869048
76 AKW 0.513761 0.878049
77 G C 0.513514 0.911392
78 93A 0.511364 0.821429
79 IDP 0.505495 0.959459
80 MGQ 0.505155 0.948052
81 C2R 0.5 0.893333
82 A 0.5 0.905405
83 BGO 0.5 0.911392
84 AMZ 0.5 0.905405
85 AMP 0.5 0.905405
86 AIR 0.493671 0.890411
87 MGV 0.49 0.901235
88 QBQ 0.489362 0.972973
89 SGP 0.488889 0.8375
90 NIA 0.488095 0.8375
91 GPC 0.474138 0.890244
92 GGM 0.473684 0.888889
93 71V 0.47191 0.85
94 R5I 0.46875 0.933333
95 MGP 0.46875 0.948052
96 R7I 0.46875 0.933333
97 C2E 0.468085 0.933333
98 PCG 0.468085 0.945946
99 35G 0.468085 0.945946
100 G1G 0.466102 0.9125
101 7RA 0.465909 0.918919
102 FAI 0.465909 0.905405
103 AAM 0.465909 0.905405
104 RMB 0.465909 0.813333
105 1RB 0.465116 0.824324
106 6G0 0.463918 0.948052
107 5GP 5GP 0.463158 0.894737
108 RBZ 0.45977 0.815789
109 UCG 0.459016 0.923077
110 APC G U 0.458333 0.897436
111 IMO 0.449438 0.866667
112 6MZ 0.444444 0.868421
113 IRN 0.443038 0.808219
114 PMO 0.43956 0.792208
115 7RP 0.438202 0.864865
116 NYZ 0.4375 0.923077
117 GTA 0.436364 0.924051
118 JLN 0.433333 0.88
119 P2P 0.433333 0.842105
120 CZF 0.43299 0.92
121 XMP 0.428571 0.907895
122 M7G A2M G 0.427586 0.818182
123 PGS 0.425532 0.804878
124 RVP 0.423529 0.84
125 G2Q 0.423077 0.948052
126 ADP 0.419355 0.906667
127 ABM 0.417582 0.857143
128 45A 0.417582 0.857143
129 A2D 0.417582 0.881579
130 PRT 0.416667 0.945946
131 GUO 0.415842 0.932432
132 AT4 0.414894 0.871795
133 AMP MG 0.411111 0.866667
134 CA0 0.410526 0.883117
135 2SA 0.41 0.871795
136 OK8 0.41 0.87013
137 1YD 0.409091 0.933333
138 4BW 0.409091 0.933333
139 BA3 0.408602 0.881579
140 AP2 0.408602 0.871795
141 A12 0.408602 0.871795
142 6C6 0.408163 0.825
143 25A 0.407767 0.906667
144 NOS 0.406977 0.813333
145 ATP 0.40625 0.906667
146 KG4 0.40625 0.883117
147 HEJ 0.40625 0.906667
148 B4P 0.404255 0.881579
149 AP5 0.404255 0.881579
150 6IA 0.40404 0.785714
151 ACQ 0.40404 0.883117
152 ANP 0.40404 0.883117
153 CGP 0.403361 0.878049
154 3ZE 0.402062 0.871795
155 5FA 0.402062 0.906667
156 APC 0.402062 0.871795
157 AQP 0.402062 0.906667
158 AN2 0.4 0.894737
159 N6P 0.4 0.853333
Ligand no: 2; Ligand: B4P; Similar ligands found: 491
No: Ligand ECFP6 Tc MDL keys Tc
1 B4P 1 1
2 AP5 1 1
3 BA3 0.984615 1
4 AQP 0.942029 0.971831
5 5FA 0.942029 0.971831
6 ATP 0.927536 0.971831
7 HEJ 0.927536 0.971831
8 A2D 0.924242 1
9 ADP 0.884058 0.971831
10 AGS 0.875 0.92
11 AT4 0.84507 0.932432
12 AN2 0.84507 0.958333
13 APR 0.835616 0.971831
14 AR6 0.835616 0.971831
15 M33 0.833333 0.958333
16 AD9 0.824324 0.945205
17 ACP 0.821918 0.945205
18 ACQ 0.802632 0.945205
19 ANP 0.802632 0.945205
20 A 0.797101 0.943662
21 AMP 0.797101 0.943662
22 6YZ 0.794872 0.945205
23 ADX 0.783784 0.873418
24 CA0 0.783784 0.945205
25 KG4 0.773333 0.945205
26 50T 0.773333 0.931507
27 45A 0.763889 0.917808
28 ABM 0.763889 0.917808
29 PRX 0.763158 0.893333
30 HQG 0.7625 0.958333
31 AMP MG 0.760563 0.929577
32 ATF 0.759494 0.932432
33 T99 0.75641 0.932432
34 TAT 0.75641 0.932432
35 A22 0.753086 0.985915
36 25L 0.752941 0.985915
37 AP2 0.743243 0.932432
38 A12 0.743243 0.932432
39 APC 0.74026 0.932432
40 SRA 0.736111 0.893333
41 A3R 0.73494 0.907895
42 ADQ 0.73494 0.972222
43 A1R 0.73494 0.907895
44 JNT 0.72619 0.945205
45 8LE 0.725 0.894737
46 5AL 0.725 0.931507
47 ADP BEF 0.723684 0.943662
48 ADP MG 0.723684 0.943662
49 G5P 0.722222 0.921053
50 9X8 0.717647 0.92
51 OAD 0.717647 0.945205
52 AU1 0.714286 0.945205
53 G3A 0.711111 0.921053
54 APC MG 0.708861 0.917808
55 SRP 0.707317 0.906667
56 8LH 0.707317 0.906667
57 8QN 0.702381 0.931507
58 3OD 0.701149 0.945205
59 GTA 0.695652 0.886076
60 4AD 0.694118 0.92
61 UP5 0.691489 0.945946
62 QA7 0.690476 0.894737
63 8LQ 0.690476 0.906667
64 ATP MG 0.6875 0.943662
65 RBY 0.6875 0.932432
66 ADP PO3 0.6875 0.943662
67 ADV 0.6875 0.932432
68 00A 0.686047 0.907895
69 OOB 0.682353 0.958333
70 25A 0.682353 0.971831
71 5SV 0.682353 0.848101
72 OZV 0.682353 0.971831
73 BIS 0.681818 0.907895
74 BEF ADP 0.679012 0.917808
75 KMQ 0.677778 0.932432
76 VO4 ADP 0.674699 0.918919
77 PAJ 0.674419 0.884615
78 AMO 0.674419 0.932432
79 7D4 0.670886 0.88
80 ITT 0.670886 0.916667
81 MAP 0.670588 0.92
82 A4P 0.670103 0.843373
83 DLL 0.666667 0.958333
84 AHX 0.666667 0.896104
85 V2G 0.662651 0.871795
86 3UK 0.659091 0.945205
87 SON 0.658228 0.906667
88 T5A 0.656566 0.864198
89 ANP MG 0.654762 0.931507
90 ALF ADP 0.654762 0.87013
91 LMS 0.653333 0.82716
92 PR8 0.651685 0.85
93 B5V 0.651685 0.932432
94 WAQ 0.651685 0.883117
95 LAD 0.651685 0.860759
96 GAP 0.650602 0.893333
97 AFH 0.648936 0.909091
98 TXA 0.644444 0.932432
99 NB8 0.644444 0.896104
100 1ZZ 0.644444 0.839506
101 FYA 0.644444 0.931507
102 PTJ 0.644444 0.871795
103 ME8 0.644444 0.839506
104 DQV 0.642105 0.985915
105 JSQ 0.638554 0.92
106 HFD 0.638554 0.92
107 2A5 0.634146 0.893333
108 DAL AMP 0.632184 0.905405
109 9SN 0.630435 0.896104
110 48N 0.628866 0.896104
111 PAP 0.626506 0.957747
112 ATR 0.626506 0.943662
113 9ZA 0.625 0.883117
114 9ZD 0.625 0.883117
115 B5M 0.623656 0.92
116 B5Y 0.623656 0.92
117 FA5 0.623656 0.932432
118 RAB 0.623188 0.84507
119 XYA 0.623188 0.84507
120 ADN 0.623188 0.84507
121 6V0 0.622449 0.921053
122 DND 0.622449 0.958904
123 NAI 0.622449 0.933333
124 NAX 0.622449 0.897436
125 TXD 0.622449 0.933333
126 7D3 0.620253 0.88
127 XAH 0.617021 0.839506
128 TXE 0.616162 0.933333
129 OMR 0.616162 0.851852
130 AOC 0.615385 0.821918
131 4UV 0.610526 0.92
132 AP0 0.61 0.921053
133 L3W 0.61 0.932432
134 5N5 0.605634 0.819444
135 5AS 0.604938 0.77907
136 ADP BMA 0.604396 0.945205
137 A2R 0.602273 0.958333
138 CNA 0.601942 0.958904
139 4UU 0.597938 0.92
140 GA7 0.597938 0.932432
141 5CD 0.597222 0.805556
142 A4D 0.597222 0.819444
143 4TC 0.594059 0.921053
144 3AT 0.593023 0.944444
145 139 0.592233 0.897436
146 ADJ 0.592233 0.875
147 LAQ 0.585859 0.839506
148 F2R 0.580952 0.841463
149 YLP 0.58 0.819277
150 COD 0.575472 0.811765
151 DTP 0.574713 0.88
152 JB6 0.574468 0.907895
153 4UW 0.574257 0.884615
154 EP4 0.573333 0.753247
155 A3P 0.573171 0.943662
156 ATP A A A 0.572917 0.957747
157 ATP A 0.572917 0.957747
158 7D5 0.571429 0.853333
159 TYM 0.568627 0.932432
160 MYR AMP 0.568421 0.817073
161 6AD 0.568182 0.884615
162 DTA 0.565789 0.810811
163 M2T 0.565789 0.734177
164 80F 0.564815 0.864198
165 H1Q 0.564706 0.90411
166 3DH 0.564103 0.773333
167 G5A 0.563218 0.77907
168 UPA 0.563107 0.933333
169 YLC 0.563107 0.839506
170 YLB 0.563107 0.819277
171 NAD 0.560748 0.958333
172 TSB 0.56044 0.819277
173 MTA 0.558442 0.773333
174 3AM 0.556962 0.902778
175 SSA 0.555556 0.8
176 AHZ 0.554455 0.817073
177 A2P 0.554217 0.929577
178 NA7 0.553191 0.932432
179 IOT 0.552381 0.809524
180 PPS 0.550562 0.85
181 A3D 0.550459 0.945205
182 7MD 0.55 0.8625
183 ARG AMP 0.55 0.807229
184 AR6 AR6 0.55 0.944444
185 NO7 0.549451 0.906667
186 54H 0.549451 0.788235
187 VMS 0.549451 0.788235
188 YLA 0.54717 0.819277
189 CUU 0.546512 0.944444
190 AMP DBH 0.545455 0.918919
191 TAD 0.544554 0.884615
192 AV2 0.544444 0.891892
193 A5A 0.544444 0.807229
194 6RE 0.54321 0.7375
195 AYB 0.542056 0.809524
196 7DT 0.54023 0.957747
197 DDS 0.539326 0.853333
198 AVV 0.537634 0.896104
199 52H 0.532609 0.77907
200 BTX 0.53211 0.819277
201 NSS 0.531915 0.8
202 NAE 0.530973 0.92
203 ZAS 0.530864 0.766234
204 A3N 0.53012 0.786667
205 IMO 0.53012 0.902778
206 J7C 0.53012 0.746835
207 DAT 0.528736 0.88
208 BT5 0.527273 0.809524
209 53H 0.526882 0.77907
210 5CA 0.526882 0.8
211 8X1 0.526882 0.752809
212 NVA LMS 0.526316 0.752809
213 NAQ 0.526316 0.896104
214 ARU 0.526316 0.8375
215 EAD 0.525862 0.897436
216 9K8 0.525773 0.733333
217 RGT 0.525253 0.932432
218 2AM 0.525 0.916667
219 AF3 ADP 3PG 0.52381 0.8375
220 ALF ADP 3PG 0.52381 0.8375
221 6MZ 0.52381 0.90411
222 S4M 0.52381 0.666667
223 V3L 0.522222 0.944444
224 ZID 0.521739 0.945205
225 LEU LMS 0.520833 0.730337
226 LPA AMP 0.519231 0.817073
227 NAD IBO 0.518868 0.944444
228 7MC 0.518868 0.841463
229 NAD TDB 0.518868 0.944444
230 DSH 0.518072 0.725
231 MAO 0.517647 0.759036
232 D4F 0.517544 0.8625
233 LSS 0.515789 0.761364
234 DSZ 0.515789 0.8
235 P5A 0.515464 0.744444
236 DZD 0.513514 0.909091
237 NWW 0.513158 0.760563
238 FB0 0.512397 0.784091
239 5X8 0.511364 0.763158
240 O02 0.511111 0.896104
241 GP3 0.511111 0.921053
242 YLY 0.508772 0.809524
243 M24 0.508772 0.873418
244 38V 0.508621 0.886076
245 N0B 0.508621 0.841463
246 P1H 0.508333 0.875
247 5AD 0.506849 0.746479
248 OVE 0.506024 0.88
249 GJV 0.505882 0.728395
250 7DD 0.505747 0.957747
251 NAJ PZO 0.504425 0.871795
252 NEC 0.5 0.746667
253 GSU 0.5 0.77907
254 128 0.5 0.776471
255 KAA 0.5 0.752809
256 NDE 0.495868 0.932432
257 NJP 0.495495 0.945946
258 6C6 0.494505 0.857143
259 SFG 0.494382 0.75
260 FDA 0.491935 0.833333
261 AMP NAD 0.491071 0.931507
262 4TA 0.491071 0.829268
263 0WD 0.491071 0.921053
264 YSA 0.490196 0.8
265 GTP 0.489362 0.894737
266 A7D 0.488636 0.776316
267 6FA 0.488 0.864198
268 NDC 0.487805 0.896104
269 NAJ PYZ 0.487179 0.829268
270 SA8 0.483516 0.707317
271 A5D 0.483516 0.810811
272 MHZ 0.483146 0.697674
273 71V 0.482759 0.883117
274 A3G 0.482353 0.8
275 ODP 0.482143 0.909091
276 Y3J 0.480519 0.726027
277 K3K 0.480392 0.826667
278 8PZ 0.480392 0.821429
279 FAS 0.480315 0.875
280 FAD 0.480315 0.875
281 SFD 0.480315 0.752688
282 7D7 0.48 0.743243
283 GGZ 0.479167 0.825
284 HDV 0.478723 0.868421
285 SAH 0.478261 0.74359
286 SAI 0.478261 0.734177
287 NDP 0.477477 0.921053
288 NPW 0.477477 0.886076
289 LQJ 0.475728 0.944444
290 B1U 0.475728 0.755556
291 PO4 PO4 A A A A PO4 0.474747 0.929577
292 SMM 0.473684 0.686047
293 TXP 0.473214 0.921053
294 NZQ 0.473214 0.909091
295 6IA 0.473118 0.814815
296 SAM 0.473118 0.690476
297 CZF 0.473118 0.905405
298 K3E 0.471154 0.815789
299 J4G 0.47 0.894737
300 NWQ 0.46988 0.739726
301 AAT 0.468085 0.707317
302 QBQ 0.468085 0.881579
303 EEM 0.468085 0.690476
304 PGS 0.466667 0.858974
305 7C5 0.466667 0.818182
306 62F 0.465649 0.886076
307 FNK 0.465649 0.804598
308 D5M 0.465116 0.853333
309 N5O 0.465116 0.763158
310 DA 0.465116 0.853333
311 N6P 0.464646 0.915493
312 GSP 0.463918 0.85
313 2SA 0.463158 0.906667
314 KOY 0.462963 0.826667
315 FAY 0.462121 0.886076
316 A3T 0.461538 0.821918
317 AAM 0.45977 0.943662
318 QXP 0.459184 0.785714
319 GEK 0.459184 0.7375
320 RFL 0.458647 0.843373
321 S7M 0.458333 0.690476
322 V47 0.458333 0.808219
323 6G0 0.458333 0.860759
324 4YB 0.457944 0.781609
325 AMZ 0.457831 0.890411
326 C2R 0.457831 0.878378
327 GDP 0.457447 0.894737
328 A3S 0.455556 0.810811
329 WSA 0.454545 0.809524
330 N5A 0.454545 0.736842
331 Z5A 0.454545 0.8
332 12D 0.453704 0.785714
333 XNP 0.452174 0.873418
334 8Q2 0.45045 0.793103
335 AIR 0.45 0.875
336 62X 0.45 0.666667
337 ETB 0.449153 0.811765
338 DCA 0.449153 0.802326
339 MGP 0.447917 0.860759
340 NIA 0.447059 0.8
341 QXG 0.445545 0.776471
342 K15 0.445545 0.682353
343 A6D 0.445545 0.743902
344 PUA 0.445378 0.884615
345 9JJ 0.445255 0.886076
346 6K6 0.444444 0.90411
347 V1N 0.443396 0.944444
348 COA 0.441667 0.802326
349 0T1 0.441667 0.802326
350 649 0.441441 0.764045
351 R2V 0.441176 0.785714
352 0UM 0.44 0.698795
353 P5F 0.438849 0.823529
354 GCP 0.438776 0.871795
355 G1R 0.438776 0.883117
356 3AD 0.4375 0.805556
357 DZ4 0.4375 0.857143
358 GNH 0.4375 0.883117
359 O05 0.436893 0.843373
360 K2R 0.436893 0.88
361 101 0.436782 0.853333
362 NVA 2AD 0.43617 0.759494
363 K2H 0.435644 0.779221
364 NAP 0.434426 0.945205
365 GNP 0.434343 0.871795
366 9GM 0.434343 0.871795
367 KY2 0.434343 0.710843
368 K2W 0.433962 0.7625
369 APU 0.433628 0.894737
370 KB1 0.432692 0.719512
371 F2N 0.432624 0.813953
372 7RP 0.431818 0.901408
373 CAO 0.430894 0.775281
374 30N 0.430894 0.734043
375 1DG 0.430894 0.921053
376 DG1 0.430894 0.921053
377 TAP 0.430894 0.907895
378 COS 0.430894 0.784091
379 AMX 0.430894 0.811765
380 2VA 0.430108 0.8
381 S8M 0.43 0.759494
382 GTG 0.429907 0.886076
383 FA9 0.429577 0.864198
384 K38 0.428571 0.802632
385 MGO 0.428571 0.8375
386 KL2 0.428571 0.813333
387 CMX 0.427419 0.802326
388 SCO 0.427419 0.802326
389 NA0 0.427419 0.932432
390 NHD 0.42735 0.931507
391 K2K 0.427184 0.759494
392 NX8 0.427083 0.7375
393 7RA 0.426966 0.930556
394 AS 0.426966 0.810127
395 KYB 0.425743 0.710843
396 ACK 0.425287 0.861111
397 QQY 0.425287 0.815789
398 Q34 0.424779 0.694118
399 FCX 0.424 0.775281
400 ACO 0.424 0.775281
401 FAM 0.424 0.784091
402 FAJ 0.423611 0.853659
403 OZP 0.423423 0.75
404 CC5 0.423077 0.816901
405 SXZ 0.423077 0.710843
406 8BR 0.422222 0.881579
407 EO7 0.422222 0.788235
408 IDP 0.421053 0.893333
409 ZDA 0.421053 0.84
410 HAX 0.420635 0.784091
411 GDD 0.420561 0.884615
412 K3H 0.420561 0.772152
413 GDC 0.420561 0.884615
414 GKE 0.420561 0.884615
415 KYE 0.420561 0.694118
416 J7V 0.419355 0.833333
417 KY5 0.419048 0.746835
418 TM1 0.419048 0.77381
419 9BG 0.418803 0.896104
420 2MC 0.418605 0.75
421 KXW 0.418182 0.728395
422 NAD BBN 0.41791 0.864198
423 CMP 0.417582 0.928571
424 2BA 0.417582 0.942857
425 3KK 0.417323 0.784091
426 FYN 0.417323 0.802326
427 PLP AAD 0.416667 0.752809
428 SO8 0.416667 0.789474
429 SLU 0.416667 0.790698
430 7L1 0.416 0.775281
431 NMN AMP PO4 0.415254 0.894737
432 Q2P 0.415254 0.694118
433 26A 0.414634 0.763158
434 HF7 0.414141 0.868421
435 KGP 0.414062 0.71134
436 OXK 0.414062 0.784091
437 MCD 0.414062 0.784091
438 SOP 0.414062 0.784091
439 YZS 0.414062 0.71134
440 CA6 0.414062 0.71134
441 COK 0.414062 0.784091
442 QQX 0.413793 0.805195
443 KY8 0.413462 0.75
444 G2R 0.413462 0.860759
445 NAD CJ3 0.411765 0.833333
446 PRT 0.411215 0.905405
447 FAI 0.411111 0.890411
448 RMB 0.411111 0.847222
449 1VU 0.410853 0.775281
450 CMC 0.410853 0.784091
451 CO6 0.410853 0.784091
452 NMX 0.410853 0.741935
453 NWZ 0.410526 0.725
454 RP1 0.409091 0.866667
455 SP1 0.409091 0.866667
456 SCA 0.409091 0.784091
457 1RB 0.409091 0.859155
458 ANZ 0.409091 0.8
459 NFD 0.408333 0.907895
460 CAJ 0.407692 0.784091
461 SCD 0.407692 0.802326
462 KGA 0.406015 0.726316
463 D3Y 0.405941 0.813333
464 KH3 0.405405 0.674419
465 N01 0.404959 0.931507
466 IVC 0.40458 0.793103
467 1HE 0.40458 0.766667
468 A1S 0.40458 0.784091
469 MLC 0.40458 0.784091
470 BCO 0.40458 0.784091
471 KGJ 0.40458 0.734043
472 3HC 0.40458 0.793103
473 5GP 0.404255 0.881579
474 G 0.404255 0.881579
475 R7I 0.40404 0.893333
476 R5I 0.40404 0.893333
477 G2Q 0.403846 0.860759
478 3D1 0.402439 0.773333
479 3L1 0.402439 0.773333
480 VRT 0.402062 0.769231
481 HZ2 0.401786 0.753086
482 YE1 0.401515 0.813953
483 LCV 0.401515 0.704082
484 CAA 0.401515 0.793103
485 MCA 0.401515 0.775281
486 SO5 0.401515 0.704082
487 COO 0.401515 0.784091
488 Q2M 0.4 0.690476
489 3NZ 0.4 0.805195
490 GMV 0.4 0.871795
491 CNV FAD 0.4 0.793103
Similar Ligands (3D)
Ligand no: 1; Ligand: 5GP; Similar ligands found: 181
No: Ligand Similarity coefficient
1 IMU 0.9908
2 EO7 0.9905
3 IRP 0.9761
4 LMS 0.9705
5 6CG 0.9705
6 FMP 0.9702
7 8GM 0.9670
8 6OG 0.9662
9 8BR 0.9643
10 SRA 0.9642
11 D5M 0.9581
12 8OP 0.9576
13 DI 0.9557
14 DA 0.9551
15 CMP 0.9481
16 5HM 0.9474
17 6SW 0.9448
18 AS 0.9446
19 8OG 0.9444
20 AOC 0.9444
21 6MA 0.9412
22 ZAS 0.9407
23 5BU 0.9398
24 PFU 0.9366
25 NEC 0.9346
26 7CH 0.9345
27 3DH 0.9341
28 A3N 0.9335
29 FNU 0.9328
30 N5O 0.9319
31 CNU 0.9319
32 BRU 0.9319
33 5AS 0.9308
34 5CM 0.9294
35 NCN 0.9288
36 TMP 0.9283
37 NYM 0.9281
38 QBT 0.9281
39 6SZ 0.9279
40 TKW 0.9278
41 Z8B 0.9277
42 5FU 0.9270
43 UFP 0.9262
44 M2T 0.9253
45 NMN 0.9252
46 U5P 0.9224
47 MTA 0.9223
48 SP1 0.9219
49 7D5 0.9218
50 6SX 0.9214
51 6RE 0.9211
52 J7C 0.9211
53 5IU 0.9207
54 MZP 0.9174
55 4X2 0.9152
56 NWQ 0.9140
57 5HU 0.9140
58 9L3 0.9138
59 C 0.9123
60 2DT 0.9120
61 D4M 0.9119
62 BMQ 0.9115
63 BMP 0.9108
64 EP4 0.9107
65 MCF 0.9100
66 UP6 0.9063
67 RP1 0.9062
68 6J7 0.9056
69 BVP 0.9055
70 DSH 0.9040
71 C5P 0.9030
72 O8M 0.9029
73 PRX 0.9015
74 UMP 0.9002
75 DC 0.8991
76 GJV 0.8990
77 DCM 0.8989
78 DU 0.8989
79 U 0.8986
80 NWZ 0.8980
81 H2U 0.8974
82 3F5 0.8969
83 SSI 0.8968
84 MTE 0.8960
85 NUP 0.8946
86 UMC 0.8941
87 GDP MG 0.8932
88 T3S 0.8920
89 S5P 0.8919
90 ICR 0.8905
91 FN5 0.8895
92 CH 0.8895
93 581 0.8894
94 U6M 0.8893
95 PSU 0.8871
96 16B 0.8861
97 M7G 0.8859
98 O02 0.8851
99 2FA 0.8850
100 CAR 0.8849
101 O7E 0.8845
102 DDN 0.8844
103 G5A 0.8843
104 A8M 0.8839
105 ADP MG 0.8838
106 6CN 0.8830
107 DUS 0.8828
108 A3P 0.8826
109 OMP 0.8819
110 M33 0.8818
111 AD3 0.8816
112 ATM 0.8807
113 JW5 0.8806
114 43J 0.8797
115 T7O 0.8794
116 6AU 0.8793
117 GNG 0.8784
118 ADN 0.8778
119 N8M 0.8776
120 7DD 0.8775
121 U4S 0.8771
122 GAP 0.8768
123 6AD 0.8762
124 ADX 0.8760
125 A4D 0.8759
126 5CD 0.8759
127 1BJ 0.8754
128 A2P 0.8752
129 S4M 0.8752
130 43H 0.8741
131 IXF 0.8739
132 SON 0.8729
133 DOC 0.8728
134 FMC 0.8728
135 DBM 0.8718
136 5YA 0.8713
137 NOC 0.8713
138 ARJ 0.8713
139 NWW 0.8700
140 U2S 0.8699
141 FKJ 0.8695
142 IY5 0.8695
143 13A 0.8685
144 5N5 0.8683
145 AU1 0.8679
146 DAT 0.8677
147 Y3J 0.8666
148 CL9 0.8665
149 IMH 0.8665
150 CC2 0.8659
151 UA2 0.8658
152 MG7 0.8657
153 2OM 0.8656
154 U3S 0.8655
155 U1S 0.8655
156 100 0.8648
157 M7M 0.8647
158 ECZ 0.8641
159 2ZI 0.8639
160 5FD 0.8639
161 O7M 0.8636
162 PNJ 0.8629
163 TBN 0.8621
164 RFZ 0.8610
165 3AD 0.8609
166 GLC G6P 0.8606
167 IXE 0.8598
168 5CJ 0.8596
169 M0Y 0.8587
170 LRT 0.8587
171 DN8 0.8586
172 824 0.8575
173 0NH 0.8561
174 IYX 0.8555
175 A5A 0.8547
176 9W8 0.8546
177 TXS 0.8537
178 6SY 0.8537
179 2GE 0.8529
180 5ID 0.8524
181 3BH 0.8521
Ligand no: 2; Ligand: B4P; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JC9; Ligand: ADN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2jc9.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2JC9; Ligand: ADN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2jc9.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2JC9; Ligand: ADN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2jc9.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2JC9; Ligand: ADN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2jc9.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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