Receptor
PDB id Resolution Class Description Source Keywords
4HE2 1.6 Å EC: 3.1.3.11 CRYSTAL STRUCTURE OF HUMAN MUSCLE FRUCTOSE-1,6-BISPHOSPHATAS MUTANT COMPLEX WITH AMP HOMO SAPIENS ALLOSTERIC ENZYME HYDROLASE
Ref.: CRYSTAL STRUCTURES OF HUMAN MUSCLE FRUCTOSE-1,6-BISPHOSPHATASE: NOVEL QUATERNARY STATE ENHANCED AMP AFFINITY, AND ALLOSTERIC SIGNAL TRANSM PATHWAY. PLOS ONE V. 8 71242 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:407;
Invalid;
none;
submit data
35.453 Cl [Cl-]
MG A:405;
A:403;
A:406;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
AMP A:401;
Valid;
none;
ic50 = 3.65 uM
347.221 C10 H14 N5 O7 P c1nc(...
PO3 A:402;
Invalid;
none;
submit data
78.972 O3 P [O-][...
ZN A:404;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HE2 1.6 Å EC: 3.1.3.11 CRYSTAL STRUCTURE OF HUMAN MUSCLE FRUCTOSE-1,6-BISPHOSPHATAS MUTANT COMPLEX WITH AMP HOMO SAPIENS ALLOSTERIC ENZYME HYDROLASE
Ref.: CRYSTAL STRUCTURES OF HUMAN MUSCLE FRUCTOSE-1,6-BISPHOSPHATASE: NOVEL QUATERNARY STATE ENHANCED AMP AFFINITY, AND ALLOSTERIC SIGNAL TRANSM PATHWAY. PLOS ONE V. 8 71242 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 5ET6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 4HE1 - F6P C6 H13 O9 P C([C@@H]1[....
3 4HE2 ic50 = 3.65 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1FSA - F6P C6 H13 O9 P C([C@@H]1[....
2 1RDY - F6P C6 H13 O9 P C([C@@H]1[....
3 1FPI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 1Q9D ic50 = 1.87 uM OI1 C32 H35 N3 O5 CCC[C@@H](....
5 1YZ0 Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1NUX - F6P C6 H13 O9 P C([C@@H]1[....
7 1RDZ - F6P C6 H13 O9 P C([C@@H]1[....
8 1FPF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
9 1NV0 - F6P C6 H13 O9 P C([C@@H]1[....
10 1EYJ - F6P C6 H13 O9 P C([C@@H]1[....
11 1FJ9 - F6P C6 H13 O9 P C([C@@H]1[....
12 1NV1 - F6P C6 H13 O9 P C([C@@H]1[....
13 1FPG - AMP C10 H14 N5 O7 P c1nc(c2c(n....
14 2QVU Kd = 0.36 uM FDP C6 H14 O12 P2 C([C@@H]1[....
15 1NUZ - F6P C6 H13 O9 P C([C@@H]1[....
16 1YXI - F6P C6 H13 O9 P C([C@@H]1[....
17 2QVV - FDP C6 H14 O12 P2 C([C@@H]1[....
18 1FPD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
19 1YYZ Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
20 1NV5 - F6P C6 H13 O9 P C([C@@H]1[....
21 1EYK - F6P C6 H13 O9 P C([C@@H]1[....
22 4FBP - AMP C10 H14 N5 O7 P c1nc(c2c(n....
23 1FPL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
24 1NUW - F6P C6 H13 O9 P C([C@@H]1[....
25 1NV6 - F6P C6 H13 O9 P C([C@@H]1[....
26 1FBH - FBP C6 H14 O12 P2 C([C@@H]1[....
27 1FPE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
28 1LEV ic50 = 2.6 uM CLI C12 H9 Cl2 N O4 c1c(cc(c2c....
29 3KBZ ic50 = 124 nM 2T4 C11 H11 N2 O4 P S c1cc2c(c(c....
30 1NUY - F6P C6 H13 O9 P C([C@@H]1[....
31 1NV3 - F6P C6 H13 O9 P C([C@@H]1[....
32 3KC1 ic50 = 1 nM 2T6 C12 H11 N2 O5 P S c1cc(c-2c(....
33 1EYI - F6P C6 H13 O9 P C([C@@H]1[....
34 1CNQ - F6P C6 H13 O9 P C([C@@H]1[....
35 1NV7 - F6P C6 H13 O9 P C([C@@H]1[....
36 1FPJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1KZ8 ic50 = 0.83 uM PFE C22 H22 N4 O3 S CCOc1cc2c(....
38 1NV4 - F6P C6 H13 O9 P C([C@@H]1[....
39 1FJ6 - F6P C6 H13 O9 P C([C@@H]1[....
40 1FRP - FDP C6 H14 O12 P2 C([C@@H]1[....
41 1FTA - AMP C10 H14 N5 O7 P c1nc(c2c(n....
42 1NV2 - F6P C6 H13 O9 P C([C@@H]1[....
43 1FBP - F6P C6 H13 O9 P C([C@@H]1[....
44 5FBP - F6P C6 H13 O9 P C([C@@H]1[....
45 2VT5 - ROK ROK n/a n/a
46 2WBB ic50 = 0.92 uM RO3 C11 H10 Br N3 O3 S2 Cc1ccc(cc1....
47 2Y5L ic50 = 0.33 uM RO8 C10 H7 Br Cl N3 O3 S2 c1cc(cc(c1....
48 2JJK ic50 = 9 nM R15 C21 H26 Cl2 N4 O6 S2 c1cc(cc(c1....
49 2WBD Kd = 0.23 uM RO5 C12 H12 Br N3 O3 S2 CCc1cccc(c....
50 4MJO Kd = 0.6 uM 2C1 C16 H20 Br N5 O5 S2 Cc1cc(sc1C....
51 2Y5K ic50 = 0.22 uM YCU C17 H23 N5 O6 S2 Cc1cc(sc1C....
52 5ET6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
53 4HE1 - F6P C6 H13 O9 P C([C@@H]1[....
54 4HE2 ic50 = 3.65 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1FSA - F6P C6 H13 O9 P C([C@@H]1[....
2 1RDY - F6P C6 H13 O9 P C([C@@H]1[....
3 1FPI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 1Q9D ic50 = 1.87 uM OI1 C32 H35 N3 O5 CCC[C@@H](....
5 1YZ0 Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1NUX - F6P C6 H13 O9 P C([C@@H]1[....
7 1RDZ - F6P C6 H13 O9 P C([C@@H]1[....
8 1FPF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
9 1NV0 - F6P C6 H13 O9 P C([C@@H]1[....
10 1EYJ - F6P C6 H13 O9 P C([C@@H]1[....
11 1FJ9 - F6P C6 H13 O9 P C([C@@H]1[....
12 1NV1 - F6P C6 H13 O9 P C([C@@H]1[....
13 1FPG - AMP C10 H14 N5 O7 P c1nc(c2c(n....
14 2QVU Kd = 0.36 uM FDP C6 H14 O12 P2 C([C@@H]1[....
15 1NUZ - F6P C6 H13 O9 P C([C@@H]1[....
16 1YXI - F6P C6 H13 O9 P C([C@@H]1[....
17 2QVV - FDP C6 H14 O12 P2 C([C@@H]1[....
18 1FPD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
19 1YYZ Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
20 1NV5 - F6P C6 H13 O9 P C([C@@H]1[....
21 1EYK - F6P C6 H13 O9 P C([C@@H]1[....
22 4FBP - AMP C10 H14 N5 O7 P c1nc(c2c(n....
23 1FPL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
24 1NUW - F6P C6 H13 O9 P C([C@@H]1[....
25 1NV6 - F6P C6 H13 O9 P C([C@@H]1[....
26 1FBH - FBP C6 H14 O12 P2 C([C@@H]1[....
27 1FPE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
28 1LEV ic50 = 2.6 uM CLI C12 H9 Cl2 N O4 c1c(cc(c2c....
29 3KBZ ic50 = 124 nM 2T4 C11 H11 N2 O4 P S c1cc2c(c(c....
30 1NUY - F6P C6 H13 O9 P C([C@@H]1[....
31 1NV3 - F6P C6 H13 O9 P C([C@@H]1[....
32 3KC1 ic50 = 1 nM 2T6 C12 H11 N2 O5 P S c1cc(c-2c(....
33 1EYI - F6P C6 H13 O9 P C([C@@H]1[....
34 1CNQ - F6P C6 H13 O9 P C([C@@H]1[....
35 1NV7 - F6P C6 H13 O9 P C([C@@H]1[....
36 1FPJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1KZ8 ic50 = 0.83 uM PFE C22 H22 N4 O3 S CCOc1cc2c(....
38 1NV4 - F6P C6 H13 O9 P C([C@@H]1[....
39 1FJ6 - F6P C6 H13 O9 P C([C@@H]1[....
40 1FRP - FDP C6 H14 O12 P2 C([C@@H]1[....
41 1FTA - AMP C10 H14 N5 O7 P c1nc(c2c(n....
42 1NV2 - F6P C6 H13 O9 P C([C@@H]1[....
43 1FBP - F6P C6 H13 O9 P C([C@@H]1[....
44 5FBP - F6P C6 H13 O9 P C([C@@H]1[....
45 2VT5 - ROK ROK n/a n/a
46 2WBB ic50 = 0.92 uM RO3 C11 H10 Br N3 O3 S2 Cc1ccc(cc1....
47 2Y5L ic50 = 0.33 uM RO8 C10 H7 Br Cl N3 O3 S2 c1cc(cc(c1....
48 2JJK ic50 = 9 nM R15 C21 H26 Cl2 N4 O6 S2 c1cc(cc(c1....
49 2WBD Kd = 0.23 uM RO5 C12 H12 Br N3 O3 S2 CCc1cccc(c....
50 4MJO Kd = 0.6 uM 2C1 C16 H20 Br N5 O5 S2 Cc1cc(sc1C....
51 2Y5K ic50 = 0.22 uM YCU C17 H23 N5 O6 S2 Cc1cc(sc1C....
52 5ET6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
53 4HE1 - F6P C6 H13 O9 P C([C@@H]1[....
54 4HE2 ic50 = 3.65 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
55 2QVR - FDP C6 H14 O12 P2 C([C@@H]1[....
56 2OWZ - F6P C6 H13 O9 P C([C@@H]1[....
57 2OX3 - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 AMP MG 0.818182 0.916667
7 A12 0.808824 0.931507
8 AP2 0.808824 0.931507
9 BA3 0.808824 0.943662
10 SRA 0.80303 0.944444
11 AP5 0.797101 0.943662
12 B4P 0.797101 0.943662
13 ATP 0.788732 0.971429
14 AN2 0.785714 0.957747
15 APC 0.777778 0.931507
16 AQP 0.777778 0.971429
17 5FA 0.777778 0.971429
18 ADX 0.774648 0.848101
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ACP 0.763889 0.944444
23 50T 0.763889 0.957747
24 25A 0.75641 0.971429
25 AR6 0.753425 0.943662
26 APR 0.753425 0.943662
27 PRX 0.753425 0.917808
28 ADP MG 0.75 0.90411
29 TAT 0.746667 0.931507
30 ACQ 0.746667 0.944444
31 RBY 0.743243 0.905405
32 SAP 0.743243 0.918919
33 AGS 0.743243 0.918919
34 ADV 0.743243 0.905405
35 AD9 0.743243 0.944444
36 BEF ADP 0.739726 0.88
37 ADP BEF 0.739726 0.88
38 ANP 0.723684 0.944444
39 ADP PO3 0.72 0.942857
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 ATP MG 0.710526 0.90411
43 ADN 0.709677 0.842857
44 XYA 0.709677 0.842857
45 RAB 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ALF ADP 0.683544 0.868421
54 ADP ALF 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ANP MG 0.675 0.893333
58 ADP VO4 0.675 0.930556
59 VO4 ADP 0.675 0.930556
60 5SV 0.670732 0.87013
61 OOB 0.670732 0.930556
62 8QN 0.670732 0.930556
63 PTJ 0.670588 0.894737
64 AOC 0.666667 0.84507
65 4AD 0.662651 0.893333
66 A1R 0.662651 0.881579
67 AMO 0.662651 0.905405
68 PAJ 0.662651 0.858974
69 5N5 0.661538 0.816901
70 DAL AMP 0.658537 0.90411
71 IMO 0.657534 0.928571
72 DLL 0.654762 0.930556
73 AHX 0.654762 0.87013
74 00A 0.654762 0.881579
75 5AS 0.653333 0.776471
76 5CD 0.651515 0.828571
77 A4D 0.651515 0.816901
78 3UK 0.647059 0.917808
79 ADP BMA 0.647059 0.891892
80 OAD 0.647059 0.917808
81 25L 0.643678 0.957747
82 PR8 0.639535 0.848101
83 WAQ 0.639535 0.881579
84 LAD 0.639535 0.858974
85 DTA 0.637681 0.808219
86 V3L 0.6375 0.971429
87 3DH 0.633803 0.794521
88 BIS 0.632184 0.906667
89 TXA 0.632184 0.905405
90 FYA 0.632184 0.930556
91 ME8 0.632184 0.8375
92 1ZZ 0.632184 0.8375
93 3OD 0.632184 0.917808
94 NB8 0.632184 0.87013
95 MTA 0.628571 0.794521
96 3AM 0.625 0.956522
97 EP4 0.623188 0.773333
98 A A 0.62069 0.971429
99 9SN 0.617977 0.87013
100 M2T 0.614286 0.753247
101 JB6 0.613636 0.881579
102 YAP 0.611111 0.893333
103 FA5 0.611111 0.905405
104 MYR AMP 0.606742 0.814815
105 G5A 0.604938 0.776471
106 XAH 0.604396 0.8375
107 4UV 0.597826 0.893333
108 71V 0.597403 0.906667
109 ATP A A A 0.593407 0.929577
110 PAP 0.592593 0.957143
111 G3A 0.591398 0.894737
112 2AM 0.589041 0.942857
113 5X8 0.5875 0.783784
114 TYR AMP 0.586957 0.88
115 6RE 0.586667 0.779221
116 6C6 0.585366 0.905405
117 4UU 0.585106 0.893333
118 G5P 0.585106 0.894737
119 AFH 0.585106 0.858974
120 7D3 0.584416 0.878378
121 A5A 0.583333 0.804878
122 TSB 0.581395 0.795181
123 AMP DBH 0.580645 0.891892
124 2A5 0.580247 0.891892
125 DSH 0.578947 0.74359
126 TAD 0.578947 0.858974
127 GTA 0.578947 0.860759
128 6IA 0.578313 0.858974
129 SSA 0.576471 0.776471
130 C2R 0.575342 0.876712
131 AMZ 0.575342 0.888889
132 7D4 0.575 0.878378
133 PGS 0.575 0.857143
134 ZAS 0.573333 0.786667
135 ATR 0.573171 0.942857
136 LAQ 0.572917 0.8375
137 PPS 0.571429 0.848101
138 AAM 0.571429 1
139 AIR 0.571429 0.927536
140 J7C 0.571429 0.789474
141 A3N 0.571429 0.783784
142 54H 0.569767 0.785714
143 VMS 0.569767 0.785714
144 52H 0.569767 0.776471
145 7MD 0.568421 0.8375
146 AR6 AR6 0.568421 0.916667
147 48N 0.56701 0.87013
148 YLP 0.56701 0.817073
149 OVE 0.565789 0.90411
150 UPA 0.565657 0.881579
151 2SA 0.564706 0.905405
152 S4M 0.564103 0.682353
153 53H 0.563218 0.776471
154 5CA 0.563218 0.776471
155 4UW 0.561224 0.858974
156 NAI 0.561224 0.881579
157 TXD 0.561224 0.881579
158 6V0 0.561224 0.87013
159 UP5 0.561224 0.893333
160 DND 0.561224 0.905405
161 NXX 0.561224 0.905405
162 NAX 0.561224 0.848101
163 NIA 0.56 0.820513
164 D5M 0.558442 0.902778
165 DA 0.558442 0.902778
166 MAO 0.556962 0.777778
167 AHZ 0.556701 0.814815
168 ARG AMP 0.556701 0.82716
169 ITT 0.555556 0.915493
170 TXE 0.555556 0.881579
171 TYM 0.555556 0.905405
172 OMR 0.555556 0.82716
173 5AD 0.552239 0.768116
174 A2R 0.551724 0.957747
175 LPA AMP 0.55102 0.814815
176 DSZ 0.550562 0.776471
177 LSS 0.550562 0.758621
178 NSS 0.550562 0.776471
179 YLB 0.55 0.817073
180 YLC 0.55 0.8375
181 4TC 0.55 0.87013
182 AP0 0.55 0.87013
183 P5A 0.549451 0.741573
184 139 0.54902 0.848101
185 A4P 0.544554 0.819277
186 NVA LMS 0.544444 0.758621
187 GJV 0.544304 0.769231
188 7D7 0.544118 0.763889
189 A7D 0.54321 0.797297
190 ALF ADP 3PG 0.54 0.835443
191 LA8 ALF 3PG 0.54 0.835443
192 AF3 ADP 3PG 0.54 0.835443
193 6K6 0.539326 0.957143
194 IOT 0.539216 0.829268
195 LEU LMS 0.538462 0.758621
196 A3G 0.538462 0.797297
197 A5D 0.535714 0.808219
198 7MC 0.534653 0.817073
199 T5A 0.533981 0.817073
200 YLA 0.533981 0.817073
201 ADJ 0.533981 0.82716
202 KAA 0.532609 0.75
203 GSU 0.532609 0.776471
204 7RA 0.531646 0.985507
205 SFG 0.53012 0.77027
206 SAH 0.529412 0.763158
207 AYB 0.528846 0.807229
208 CNA 0.528846 0.905405
209 N6P 0.527473 0.942029
210 8BR 0.525 0.931507
211 Y3J 0.521127 0.746479
212 YSA 0.520833 0.776471
213 7RP 0.518987 0.955882
214 G A A A 0.518868 0.87013
215 COD 0.518868 0.788235
216 BTX 0.518868 0.839506
217 NAD 0.518868 0.930556
218 MHZ 0.518072 0.714286
219 SA8 0.517647 0.725
220 6AD 0.517241 0.883117
221 DZD 0.514019 0.858974
222 BT5 0.514019 0.829268
223 RMB 0.5125 0.898551
224 SAI 0.511628 0.753247
225 AV2 0.511364 0.890411
226 NAD IBO 0.509434 0.868421
227 A3D 0.509259 0.917808
228 A3S 0.506024 0.808219
229 SAM 0.505747 0.707317
230 3AT 0.505747 0.943662
231 SMM 0.505618 0.702381
232 NA7 0.505376 0.931507
233 4TA 0.504673 0.804878
234 5GP 0.5 0.905405
235 EEM 0.5 0.707317
236 NEC 0.5 0.743243
237 AAT 0.5 0.725
238 G 0.5 0.905405
239 YLY 0.495495 0.807229
240 M24 0.495495 0.848101
241 7C5 0.494949 0.815789
242 DAT 0.494118 0.878378
243 A3T 0.494118 0.819444
244 FAI 0.493827 0.888889
245 P2P 0.493827 0.928571
246 1RB 0.493671 0.911765
247 NAE 0.491071 0.893333
248 NAJ PZO 0.490909 0.846154
249 TM1 0.489583 0.771084
250 A6D 0.489362 0.740741
251 PO4 PO4 A A A A PO4 0.489362 0.901408
252 A A A 0.489362 0.90411
253 S7M 0.488889 0.707317
254 DTP 0.488636 0.878378
255 101 0.4875 0.902778
256 RBZ 0.4875 0.873239
257 EAD 0.486957 0.848101
258 NAQ 0.486726 0.87013
259 U A G G 0.486239 0.881579
260 4YB 0.485149 0.758621
261 NDE 0.483051 0.931507
262 N0B 0.482456 0.817073
263 ZID 0.482456 0.917808
264 WSA 0.480769 0.785714
265 RGT 0.479592 0.931507
266 ARU 0.478723 0.835443
267 GGZ 0.478261 0.8
268 JLN 0.47561 0.863014
269 ANZ 0.475248 0.820513
270 ACK 0.475 0.885714
271 QQY 0.475 0.837838
272 NAJ PYZ 0.473684 0.848101
273 S8M 0.473118 0.779221
274 GEK 0.473118 0.734177
275 AVV 0.473118 0.87013
276 3AD 0.472973 0.828571
277 A U 0.471698 0.868421
278 P1H 0.470588 0.82716
279 AMP NAD 0.469565 0.88
280 0UM 0.468085 0.716049
281 RVP 0.467532 0.847222
282 649 0.466667 0.741573
283 Z5A 0.465517 0.776471
284 PMO 0.464286 0.873239
285 SXZ 0.463918 0.707317
286 62X 0.463158 0.682353
287 QQX 0.4625 0.826667
288 2VA 0.45977 0.797297
289 IMP 0.458824 0.90411
290 K15 0.458333 0.698795
291 CC5 0.458333 0.84058
292 AS 0.457831 0.855263
293 DDS 0.455556 0.851351
294 V1N 0.455446 0.943662
295 NJP 0.454545 0.918919
296 93A 0.453488 0.804878
297 G7M 0.453488 0.87013
298 7DD 0.453488 0.957143
299 3D1 0.453333 0.77027
300 3L1 0.453333 0.77027
301 NDC 0.45082 0.87013
302 FB0 0.45082 0.781609
303 0WD 0.45045 0.894737
304 26A 0.447368 0.76
305 2FA 0.447368 0.810811
306 CMP 0.447059 0.927536
307 2BA 0.447059 0.914286
308 D3Y 0.446809 0.786667
309 SO8 0.444444 0.786667
310 APU 0.444444 0.893333
311 VRT 0.444444 0.766234
312 KB1 0.444444 0.716049
313 FDA 0.443548 0.809524
314 PUA 0.443478 0.858974
315 ODP 0.441441 0.883117
316 6FA 0.44 0.817073
317 RP1 0.439024 0.864865
318 SP1 0.439024 0.864865
319 103 0.439024 0.861111
320 3NZ 0.438776 0.779221
321 7DT 0.438202 0.957143
322 U G A 0.436508 0.8375
323 NDP 0.436364 0.894737
324 NPW 0.436364 0.860759
325 MTP 0.434211 0.727273
326 NVA 2AD 0.433333 0.74026
327 FAD 0.433071 0.82716
328 SFD 0.433071 0.712766
329 FAS 0.433071 0.82716
330 TXP 0.432432 0.894737
331 IRN 0.432432 0.867647
332 NZQ 0.432432 0.883117
333 ZZB 0.432432 0.792683
334 FNK 0.430769 0.781609
335 62F 0.430769 0.8375
336 128 0.429907 0.752941
337 PLP AAD 0.429825 0.758621
338 PAX 0.428571 0.82716
339 6MD 0.428571 0.805556
340 1DA 0.428571 0.842857
341 SLU 0.426087 0.767442
342 XNP 0.424779 0.848101
343 12D 0.424528 0.761905
344 5F1 0.423077 0.72973
345 ETB 0.422414 0.809524
346 DCA 0.422414 0.8
347 WMP 0.421053 0.864865
348 GUO 0.421053 0.864865
349 FAY 0.416667 0.8375
350 38Y 0.415929 0.804878
351 5J9 0.415842 0.728395
352 NAD BBN 0.415385 0.817073
353 0T1 0.415254 0.8
354 COA 0.415254 0.8
355 KH3 0.415094 0.690476
356 FMP 0.413793 0.871429
357 U A C C 0.413793 0.857143
358 N01 0.413793 0.90411
359 RFL 0.413534 0.797619
360 NMN AMP PO4 0.412281 0.868421
361 NAD CJ3 0.409091 0.788235
362 GDP 0.408602 0.893333
363 GP2 0.408602 0.858974
364 NAP 0.408333 0.944444
365 NOC 0.407895 0.760563
366 CNV FAD 0.407407 0.770115
367 2ER 0.405941 0.831169
368 1PR 0.405941 0.820513
369 P5F 0.405797 0.8
370 TAP 0.404959 0.906667
371 CAO 0.404959 0.772727
372 AMX 0.404959 0.809524
373 COS 0.404959 0.781609
374 30N 0.404959 0.731183
375 XMP 0.402299 0.891892
376 G2P 0.402062 0.858974
377 APC G U 0.401709 0.833333
378 U A A U 0.401639 0.906667
379 CMX 0.401639 0.8
380 SCO 0.401639 0.8
381 NA0 0.401639 0.931507
382 F2N 0.4 0.790698
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4HE2; Ligand: AMP; Similar sites found: 301
This union binding pocket(no: 1) in the query (biounit: 4he2.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.0002063 0.43751 None
2 1UO5 PIH 0.03066 0.4365 None
3 3RF4 FUN 0.009581 0.41852 None
4 4HPP GLU 0.00007068 0.42766 1.18343
5 2QS8 MET 0.0001492 0.40772 1.19617
6 2WL9 MBD 0.0006227 0.41422 1.31148
7 1G7V PAI 0.0002089 0.41941 1.40845
8 1GR0 NAD 0.00001437 0.4843 1.47929
9 2Q8H TF4 0.004223 0.46723 1.47929
10 4OE4 NAD 0.00003239 0.42967 1.47929
11 1LVL FAD 0.001052 0.40328 1.47929
12 4HGP KDO 0.000518 0.40304 1.66667
13 4N02 FNR 0.000001795 0.4954 1.77515
14 3OIG NAD 0.000004651 0.48913 1.77515
15 2NCD ADP 0.002402 0.45078 1.77515
16 4OYA 1VE 0.0003765 0.45043 1.77515
17 3OIG IMJ 0.0000239 0.43795 1.77515
18 1O9U ADZ 0.01564 0.43736 1.77515
19 4LHM AZZ 0.01145 0.42005 1.77515
20 4P87 4NP 0.00009478 0.40873 1.77515
21 3A1I UNU 0.01071 0.40744 1.77515
22 4IEN GDP 0.0003302 0.41414 1.84049
23 1A5Z OXM 0.0000358 0.56354 1.88088
24 1A5Z FBP 0.00001881 0.48266 1.88088
25 1A5Z NAD 0.0000008376 0.41027 1.88088
26 3D2Y AH0 ALA FGA LYS 0.002617 0.41125 1.91571
27 1ME8 RVP 0.00001755 0.48456 2.07101
28 1V8K ANP 0.000001185 0.4709 2.07101
29 2YYJ FAD 0.0007351 0.43289 2.07101
30 2YYJ 4HP 0.0007351 0.43289 2.07101
31 3DJL FAD 0.001233 0.42434 2.07101
32 4Q3S X7A 0.000737 0.40852 2.07101
33 2FMD MAN MAN 0.00002794 0.40111 2.08333
34 1MVQ MMA 0.000002051 0.46428 2.11864
35 4FR3 LYS ARG ARG LYS SEP VAL 0.0007616 0.42663 2.13675
36 4FR3 0V4 0.0009941 0.42292 2.13675
37 1GSA ADP 0.000003957 0.48019 2.21519
38 1GSA GSH 0.00009189 0.43226 2.21519
39 3I51 45C 0.01286 0.40018 2.22222
40 4TSK NDP 0.00003029 0.46186 2.28571
41 2ZI8 SDT 0.0001276 0.40931 2.33333
42 4TMK T5A 0.0003048 0.45809 2.34742
43 2YLD CMO 0.01798 0.41614 2.3622
44 2R7K ACP 0.0002158 0.45692 2.36686
45 2R7K AMZ 0.0002158 0.45692 2.36686
46 2NVK NAP 0.01286 0.41289 2.36686
47 3MD0 GDP 0.01121 0.41092 2.36686
48 1ZK7 FAD 0.001057 0.40522 2.36686
49 1QDS PGA 0.002677 0.4323 2.39044
50 2IYG FMN 0.008551 0.4073 2.41935
51 3SIX GDP 0.009178 0.40607 2.42424
52 1BDB NAD 0.000006225 0.49436 2.52708
53 1Z34 2FD 0.0001392 0.43666 2.55319
54 3M0J OAF 0.00009831 0.4176 2.60586
55 2EB5 OXL 0.01198 0.42444 2.62172
56 1PEA ACM 0.001114 0.48848 2.66272
57 4IVG ANP 0.00001212 0.46784 2.66272
58 2NLI LAC 0.00001235 0.4676 2.66272
59 2NLI FMN 0.00001235 0.4676 2.66272
60 2F2U M77 0.0004683 0.4635 2.66272
61 4A3R CIT 0.00001142 0.45018 2.66272
62 1QO0 BMD 0.004859 0.44283 2.66272
63 4M5P MLA 0.02439 0.43424 2.66272
64 4M5P 23W 0.01599 0.43015 2.66272
65 1LCP PLU 0.00001451 0.42456 2.66272
66 1F8F NAD 0.001599 0.40686 2.66272
67 1XX4 BAM 0.0004078 0.48205 2.68199
68 2Q1A 2KT 0.00002362 0.46889 2.73038
69 3F81 STT 0.02336 0.42816 2.73224
70 3VGL BGC 0.000029 0.43986 2.80374
71 3VGL ANP 0.00001945 0.41176 2.80374
72 1A8S PPI 0.001478 0.44037 2.9304
73 2GN2 C5P 0.0000008784 0.54319 2.95858
74 2RDT FMN 0.000003215 0.4899 2.95858
75 2RDT 2RD 0.000006674 0.4899 2.95858
76 4AF0 IMP 0.00002399 0.45663 2.95858
77 4A8T PAO 0.00009816 0.44953 2.95858
78 4MWV BCZ 0.00001676 0.44842 2.95858
79 4AF0 MOA 0.0001029 0.4005 2.95858
80 2ET1 GLV 0.00004417 0.40071 2.98507
81 3SHR CMP 0.01101 0.40693 3.01003
82 3RO7 TDR 0.000001829 0.5264 3.01887
83 1WVC CTP 0.001918 0.42036 3.0888
84 1TV5 ORO 0.001164 0.43025 3.16027
85 1TV5 A26 0.000403 0.42781 3.16027
86 4IAE 1DX 0.00006053 0.44612 3.1746
87 3K9W ADE 0.00143 0.42938 3.20856
88 3K9W 4PS 0.00143 0.42938 3.20856
89 1ZJ6 G3D 0.006035 0.41338 3.20856
90 4G1V FAD 0.00000608 0.50891 3.25444
91 1P4C FMN 0.00000835 0.48681 3.25444
92 1DXY NAD 0.00007623 0.47028 3.25444
93 2P8B NSK 0.0004036 0.45246 3.25444
94 4HZX G39 0.00001833 0.45012 3.25444
95 1N6B DMZ 0.00003099 0.44075 3.25444
96 3ZPG 5GP 0.02522 0.42639 3.25444
97 4QN6 LNV 0.000005294 0.42591 3.25444
98 2GGH NLQ 0.00003428 0.41353 3.25444
99 4FUA PGH 0.00004195 0.44305 3.25581
100 3NGU ADP 0.002724 0.42274 3.31126
101 2BNE U5P 0.0000612 0.42722 3.3195
102 4U36 TNR 0.0000378 0.41533 3.33333
103 3KMT SAH 0.007493 0.4056 3.36134
104 4E28 9MZ 0.02413 0.4101 3.38462
105 1T0S BML 0.0003857 0.51164 3.48837
106 1I2B UPG 0.000008579 0.51619 3.5503
107 1I2B NAD 0.000008579 0.51619 3.5503
108 1I2B USQ 0.000008579 0.51619 3.5503
109 1ZFJ IMP 0.00002045 0.49187 3.5503
110 1JQ5 NAD 0.0003444 0.46215 3.5503
111 4PB2 5UD 0.0002068 0.45086 3.5503
112 4QN7 G39 0.00001396 0.4477 3.5503
113 3HPF GAE 0.00001405 0.44762 3.5503
114 4M51 BEZ 0.01163 0.43714 3.5503
115 2PP3 LGT 0.0006796 0.40473 3.5503
116 2WCI GSH 0.02731 0.40282 3.5503
117 4KOA NDP 0.002889 0.41351 3.6036
118 1G6O ADP 0.0001376 0.43966 3.63636
119 4COQ SAN 0.01459 0.42042 3.64372
120 1KYQ NAD 0.0004977 0.43716 3.64964
121 4B9E FAH 0.01297 0.42851 3.65448
122 1ECM TSA 0.001593 0.44696 3.66972
123 3FPZ AHZ 0.00002728 0.47831 3.68098
124 1CR1 TTP 0.0002507 0.44136 3.71622
125 1BTN I3P 0.002703 0.49436 3.77358
126 4EKV BTN 0.00004402 0.43049 3.77358
127 2BLE 5GP 0.00000006143 0.54776 3.84615
128 1Z44 NPO 0.009556 0.46572 3.84615
129 4LCQ URQ 0.000003139 0.4538 3.84615
130 1V5F FAD 0.0008791 0.45252 3.84615
131 1V5F TPP 0.0008791 0.45252 3.84615
132 3DG6 MUC 0.001016 0.43941 3.84615
133 3UXL CFI 0.0006282 0.43863 3.84615
134 2XDQ MGX 0.02268 0.42884 3.84615
135 1OMZ UD2 0.00115 0.40213 3.84615
136 1RM4 NDP 0.0000111 0.47734 3.85757
137 1G8S MET 0.001095 0.47312 3.91304
138 2B7N NTM 0.01498 0.41473 4.0293
139 1ZZ7 S0H 0.00943 0.41882 4.0404
140 3TI8 LNV 0.00001312 0.41006 4.05063
141 2BES RES 0.00555 0.41484 4.06977
142 3UEC ALA ARG TPO LYS 0.0329 0.40872 4.10959
143 3CXO 1N5 0.000001066 0.47217 4.14201
144 2ZWS PLM 0.0173 0.45088 4.14201
145 1SAZ ACP 0.0004232 0.4382 4.14201
146 3NFZ 3NF 0.009099 0.40622 4.14201
147 1ZS6 ADP 0.01687 0.40333 4.14201
148 3CXO 3LR 0.0002616 0.40054 4.14201
149 2XD9 XD9 0.00004533 0.49571 4.19162
150 1R0X ATP 0.0000009515 0.47732 4.1958
151 2OFE NAG 0.01131 0.42562 4.22535
152 1LDM NAD 0.0000002663 0.53226 4.25532
153 4NVP 7CH 0.000002922 0.46703 4.30622
154 3MB5 SAM 0.00001301 0.46691 4.31373
155 4CMF PXG 0.00004003 0.4521 4.34783
156 2ZO9 MLI 0.004614 0.42027 4.37956
157 1JQN DCO 0.000002007 0.45455 4.43787
158 1YOE RIB 0.00001052 0.43948 4.43787
159 2BNF UTP 0.00006295 0.43324 4.43787
160 4RJK PYR 0.02561 0.41975 4.43787
161 1KTC NGA 0.01977 0.40466 4.43787
162 2EJU SAH 0.005274 0.40029 4.43787
163 2QV7 ADP 0.002415 0.42047 4.45104
164 2JFV FLC 0.006851 0.43584 4.46735
165 1SS4 GSH 0.0009499 0.52718 4.57516
166 1SS4 CIT 0.02076 0.46682 4.57516
167 3ZZS TRP 0.000001267 0.47735 4.61538
168 1I9G SAM 0.000002099 0.48592 4.64286
169 3LTW HLZ 0.001693 0.46427 4.64286
170 2C5S AMP 0.0003074 0.47729 4.73373
171 1SSQ CYS 0.00008141 0.43902 4.73373
172 4KCT PYR 0.004479 0.42789 4.73373
173 4KCT FDP 0.005199 0.41598 4.73373
174 4KQL 1SG 0.002643 0.40462 4.73373
175 1KW6 BPY 0.001901 0.40912 4.79452
176 2QCX PF1 0.009803 0.42311 4.94297
177 2V5E SCR 0.006273 0.46665 4.9505
178 1NVU GTP 0.00002885 0.46055 5.02959
179 2IZ1 ATR 0.003364 0.45031 5.02959
180 4G87 UD1 0.0001697 0.42948 5.02959
181 1BGV GLU 0.00003277 0.40559 5.02959
182 1WL4 COA 0.001104 0.40266 5.02959
183 1WKL ATP 0.002597 0.41136 5.10949
184 1WKL ADP 0.0026 0.41135 5.10949
185 1FL2 FAD 0.0008608 0.40266 5.16129
186 2O66 FLC 0.005987 0.43282 5.18518
187 1JH7 UVC 0.0003404 0.41205 5.29101
188 2XBP ATP 0.0005484 0.41423 5.30973
189 2F3R G5P 0.0006482 0.41352 5.31401
190 4HZD COA 0.00004669 0.43278 5.31915
191 1Q3Q ANP 0.00002018 0.46733 5.32544
192 2IMP NAI 0.00009872 0.4601 5.32544
193 3MMR ABH 0.0001734 0.43658 5.32544
194 1XMV ADP 0.000299 0.42655 5.32544
195 2BJK NAD 0.001082 0.41083 5.32544
196 1ULE GLA GAL NAG 0.02207 0.42305 5.33333
197 1GU3 BGC BGC BGC BGC BGC 0.024 0.40093 5.36913
198 4MOB ADP 0.004015 0.41014 5.42169
199 1FNZ A2G 0.0002061 0.43752 5.48523
200 4IXW IXW 0.01512 0.40536 5.51181
201 4DA6 GA2 0.00006993 0.44872 5.5336
202 1ZK4 NAP 0.00004594 0.47093 5.57769
203 1ZK4 AC0 0.00004594 0.47093 5.57769
204 1ONX ASP 0.000002877 0.47838 5.6213
205 3QV9 QV7 0.004706 0.43756 5.6213
206 1YBQ BDH 0.0000042 0.43684 5.6213
207 1F7K UMP 0.0001073 0.4059 5.6213
208 3NJQ NJQ 0.00009442 0.40634 5.69948
209 1JA9 NDP 0.00001 0.48605 5.91716
210 2Z5Y HRM 0.000009316 0.45417 5.91716
211 4KCF AKM 0.000116 0.43808 5.91716
212 1JA9 PYQ 0.00002502 0.42784 5.91716
213 1QZZ SAM 0.005342 0.41134 5.91716
214 1RP0 AHZ 0.00008063 0.4571 5.98592
215 2PN6 GLN 0.000223 0.44444 6
216 2FWP ICR 0.00003362 0.43684 6.01093
217 2FWP CIT 0.0001831 0.4101 6.01093
218 3VOZ 04A 0.0000257 0.48914 6.03175
219 1FX8 BOG 0.0002763 0.45111 6.04982
220 3TKA CTN 0.007244 0.47621 6.05187
221 1T26 GBD 0.0000004958 0.54467 6.21118
222 1T26 NAI 0.0000004958 0.54467 6.21118
223 1GJW GLC 0.01277 0.42884 6.21302
224 3I0O SMI 0.01577 0.41372 6.21302
225 3I0O ADP 0.01563 0.40063 6.21302
226 2Y6P CTP 0.004412 0.42335 6.41026
227 3Q2I HP7 0.002419 0.40583 6.49718
228 1EDO NAP 0.0000008662 0.51999 6.55738
229 1LTH NAD 0.000001195 0.50079 6.58307
230 1V6A TRE 0.0262 0.40364 6.62651
231 1RZM PEP 0.01937 0.40505 6.80473
232 3QVL 5HY 0.0001505 0.43563 6.93878
233 1Y0L HAN 0.04131 0.42154 6.94444
234 3QDY CBS 0.005391 0.44706 6.99301
235 3QDY A2G GAL 0.01296 0.43476 6.99301
236 3QDT A2G GAL 0.02556 0.4198 6.99301
237 1J2Z SOG 0.0007767 0.43682 7.10059
238 1UF5 CDT 0.01075 0.40736 7.10059
239 1EJE FMN 0.001533 0.4196 7.29167
240 1X1T NAD 0.0001117 0.45408 7.30769
241 1Q11 TYE 0.008095 0.42174 7.39645
242 2QIA U20 0.002205 0.40135 7.39645
243 2FR6 URI 0.001618 0.41875 7.53425
244 3NOJ PYR 0.001326 0.45926 7.98817
245 2Z9V PXM 0.01272 0.4131 7.98817
246 1EB9 HBA 0.009772 0.40497 8.01527
247 4LTN NAI 0.00005518 0.44574 8.12183
248 4LTN FMN 0.00003875 0.44574 8.12183
249 2Q37 3AL 0.01368 0.41652 8.28729
250 1VQ2 DDN 0.00001171 0.47852 8.29016
251 2BTO GTP 0.0007529 0.40207 8.33333
252 3KJQ B94 0.009702 0.4051 8.42105
253 1YBH P22 0.0000009575 0.47347 8.57988
254 1SAY PYR 0.0001427 0.47232 8.57988
255 3K37 BCZ 0.0001265 0.45522 8.57988
256 1YBH FAD 0.0002727 0.44947 8.57988
257 4KS1 2H8 0.0001379 0.42942 8.57988
258 1YBH CIE 0.000705 0.40406 8.57988
259 4PPU TYR 0.02239 0.40226 8.63309
260 2Y7P SAL 0.009056 0.41959 8.7156
261 1O6B ADP 0.000003483 0.47805 8.87574
262 2X61 NGA GAL SIA 0.000007338 0.48094 8.91473
263 2X61 CH 0.00001518 0.45251 8.91473
264 3PHQ KDO 0.007125 0.48322 9.00901
265 4QDC ASD 0.0001777 0.40092 9.1716
266 1I0Z OXM 0.02852 0.42356 9.30931
267 3S9K CIT 0.02895 0.44017 9.32203
268 1QJC PNS 0.0003641 0.42532 9.49367
269 4JWX 1N4 0.01222 0.41387 9.64286
270 4PNO U5P 0.00204 0.42763 9.72222
271 1OFH ADP 0.0001608 0.40063 9.77011
272 1Y9Q MED 0.006943 0.43557 9.89583
273 3H86 AP5 0.001564 0.4006 9.89583
274 4C25 13P 0.00003698 0.42422 9.90566
275 4QDF 30Q 0.0006048 0.40625 10.0592
276 2C9O ADP 0.0003001 0.40054 10.0592
277 3R51 MMA 0.003507 0.47147 10.625
278 2E1A MSE 0.002695 0.43726 10.6667
279 2BGM NAJ 0.000006108 0.48341 10.7914
280 3CKZ ZMR 0.00002505 0.44882 10.9467
281 2HMT NAI 0.000006927 0.47287 11.1111
282 3FSJ D7K 0.00003841 0.46739 11.2426
283 4IZC 1GZ 0.0008342 0.41162 11.2727
284 4JP3 CIT 0.00004454 0.43035 11.2971
285 1Y75 NAG 0.00822 0.41666 11.8644
286 4M7J KDA KDO KDO 0.03903 0.40767 11.8721
287 4B7J G39 0.0001734 0.41375 12.1302
288 1CFV E3G 0.001152 0.40249 12.426
289 2GJ3 FAD 0.00005496 0.46696 12.5
290 3CH5 GDP 0.00009558 0.40886 13.4615
291 2C1Q BTN 0.00003814 0.44088 14.2857
292 4CCO OGA 0.02271 0.40199 15
293 1RSD PSB 0.000936 0.45702 17.3554
294 4GQB 0XU 0.00001375 0.46837 18.1818
295 4F4S EFO 0.00641 0.42619 18.4211
296 1UGX GAL MGC 0.00000374 0.46568 18.797
297 1EXB NDP 0.000004234 0.49973 20.3883
298 3KPE TM3 0.01052 0.4271 21.5686
299 1NU4 MLA 0.001922 0.44349 22.6804
300 3TA2 ATP 0.0001243 0.41855 27.1186
301 3TA2 AKG 0.0002729 0.40109 27.1186
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