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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 11 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 9 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: 395
No: Ligand ECFP6 Tc MDL keys Tc
1 A 1 1
2 AMP 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 A12 0.808824 0.931507
7 AP2 0.808824 0.931507
8 BA3 0.808824 0.943662
9 SRA 0.80303 0.944444
10 AP5 0.797101 0.943662
11 B4P 0.797101 0.943662
12 HEJ 0.788732 0.971429
13 ATP 0.788732 0.971429
14 AT4 0.785714 0.931507
15 AN2 0.785714 0.957747
16 5FA 0.777778 0.971429
17 AQP 0.777778 0.971429
18 APC 0.777778 0.931507
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ADX 0.774648 0.848101
23 ACP 0.763889 0.944444
24 50T 0.763889 0.957747
25 25A 0.75641 0.971429
26 AR6 0.753425 0.943662
27 PRX 0.753425 0.917808
28 APR 0.753425 0.943662
29 ACQ 0.746667 0.944444
30 T99 0.746667 0.931507
31 TAT 0.746667 0.931507
32 SAP 0.743243 0.918919
33 AD9 0.743243 0.944444
34 AGS 0.743243 0.918919
35 RBY 0.743243 0.905405
36 ADV 0.743243 0.905405
37 ANP 0.723684 0.944444
38 ADP PO3 0.72 0.942857
39 6YZ 0.717949 0.944444
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 LMS 0.710145 0.825
43 RAB 0.709677 0.842857
44 XYA 0.709677 0.842857
45 ADN 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 ADP ALF 0.683544 0.868421
54 ALF ADP 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ADP VO4 0.675 0.930556
58 VO4 ADP 0.675 0.930556
59 OOB 0.670732 0.930556
60 9ZA 0.670732 0.906667
61 8QN 0.670732 0.930556
62 5SV 0.670732 0.87013
63 9ZD 0.670732 0.906667
64 PTJ 0.670588 0.894737
65 AOC 0.666667 0.84507
66 PAJ 0.662651 0.858974
67 4AD 0.662651 0.893333
68 A3R 0.662651 0.881579
69 A1R 0.662651 0.881579
70 AMO 0.662651 0.905405
71 5N5 0.661538 0.816901
72 DAL AMP 0.658537 0.90411
73 IMO 0.657534 0.928571
74 AHX 0.654762 0.87013
75 00A 0.654762 0.881579
76 DLL 0.654762 0.930556
77 5AS 0.653333 0.776471
78 A4D 0.651515 0.816901
79 5CD 0.651515 0.828571
80 9X8 0.647059 0.893333
81 OAD 0.647059 0.917808
82 3UK 0.647059 0.917808
83 ADP BMA 0.647059 0.891892
84 25L 0.643678 0.957747
85 PR8 0.639535 0.848101
86 WAQ 0.639535 0.881579
87 LAD 0.639535 0.858974
88 B5V 0.639535 0.905405
89 DTA 0.637681 0.808219
90 V3L 0.6375 0.971429
91 3DH 0.633803 0.794521
92 BIS 0.632184 0.906667
93 ME8 0.632184 0.8375
94 3OD 0.632184 0.917808
95 FYA 0.632184 0.930556
96 NB8 0.632184 0.87013
97 1ZZ 0.632184 0.8375
98 TXA 0.632184 0.905405
99 MTA 0.628571 0.794521
100 3AM 0.625 0.956522
101 EP4 0.623188 0.773333
102 A A 0.62069 0.971429
103 9SN 0.617977 0.87013
104 M2T 0.614286 0.753247
105 JB6 0.613636 0.881579
106 YAP 0.611111 0.893333
107 B5Y 0.611111 0.893333
108 FA5 0.611111 0.905405
109 B5M 0.611111 0.893333
110 MYR AMP 0.606742 0.814815
111 G5A 0.604938 0.776471
112 XAH 0.604396 0.8375
113 4UV 0.597826 0.893333
114 71V 0.597403 0.906667
115 ATP A A A 0.593407 0.929577
116 PAP 0.592593 0.957143
117 G3A 0.591398 0.894737
118 2AM 0.589041 0.942857
119 5X8 0.5875 0.783784
120 6RE 0.586667 0.779221
121 6C6 0.585366 0.905405
122 AFH 0.585106 0.858974
123 4UU 0.585106 0.893333
124 G5P 0.585106 0.894737
125 GA7 0.585106 0.905405
126 7D3 0.584416 0.878378
127 A5A 0.583333 0.804878
128 TSB 0.581395 0.795181
129 AMP DBH 0.580645 0.891892
130 TYR AMP 0.580645 0.868421
131 2A5 0.580247 0.891892
132 DQV 0.578947 0.930556
133 DSH 0.578947 0.74359
134 GTA 0.578947 0.860759
135 TAD 0.578947 0.858974
136 6IA 0.578313 0.858974
137 SSA 0.576471 0.776471
138 AMZ 0.575342 0.888889
139 C2R 0.575342 0.876712
140 PGS 0.575 0.857143
141 7D4 0.575 0.878378
142 ZAS 0.573333 0.786667
143 ATR 0.573171 0.942857
144 LAQ 0.572917 0.8375
145 AAM 0.571429 1
146 J7C 0.571429 0.789474
147 A3N 0.571429 0.783784
148 PPS 0.571429 0.848101
149 AIR 0.571429 0.927536
150 52H 0.569767 0.776471
151 54H 0.569767 0.785714
152 VMS 0.569767 0.785714
153 AR6 AR6 0.568421 0.916667
154 ARG AMP 0.568421 0.82716
155 7MD 0.568421 0.8375
156 YLP 0.56701 0.817073
157 48N 0.56701 0.87013
158 OVE 0.565789 0.90411
159 UPA 0.565657 0.881579
160 2SA 0.564706 0.905405
161 S4M 0.564103 0.682353
162 5CA 0.563218 0.776471
163 53H 0.563218 0.776471
164 8X1 0.563218 0.75
165 UP5 0.561224 0.893333
166 NAI 0.561224 0.881579
167 6V0 0.561224 0.87013
168 NAX 0.561224 0.848101
169 4UW 0.561224 0.858974
170 DND 0.561224 0.905405
171 TXD 0.561224 0.881579
172 NXX 0.561224 0.905405
173 NIA 0.56 0.820513
174 D5M 0.558442 0.902778
175 DA 0.558442 0.902778
176 MAO 0.556962 0.777778
177 AHZ 0.556701 0.814815
178 OMR 0.555556 0.82716
179 ITT 0.555556 0.915493
180 TYM 0.555556 0.905405
181 TXE 0.555556 0.881579
182 5AD 0.552239 0.768116
183 A2R 0.551724 0.957747
184 LPA AMP 0.55102 0.814815
185 DSZ 0.550562 0.776471
186 NSS 0.550562 0.776471
187 LSS 0.550562 0.758621
188 AP0 0.55 0.87013
189 YLC 0.55 0.8375
190 4TC 0.55 0.87013
191 YLB 0.55 0.817073
192 P5A 0.549451 0.741573
193 139 0.54902 0.848101
194 A4P 0.544554 0.819277
195 NVA LMS 0.544444 0.75
196 GJV 0.544304 0.769231
197 7D7 0.544118 0.763889
198 9K8 0.543478 0.711111
199 A7D 0.54321 0.797297
200 AF3 ADP 3PG 0.54 0.835443
201 6K6 0.539326 0.957143
202 IOT 0.539216 0.829268
203 A3G 0.538462 0.797297
204 LEU LMS 0.538462 0.75
205 A5D 0.535714 0.808219
206 7MC 0.534653 0.817073
207 T5A 0.533981 0.817073
208 ADJ 0.533981 0.82716
209 YLA 0.533981 0.817073
210 GSU 0.532609 0.776471
211 KAA 0.532609 0.75
212 7RA 0.531646 0.985507
213 SFG 0.53012 0.77027
214 SAH 0.529412 0.763158
215 HFD 0.529412 0.918919
216 AYB 0.528846 0.807229
217 CNA 0.528846 0.905405
218 N6P 0.527473 0.942029
219 8BR 0.525 0.931507
220 F2R 0.52381 0.839506
221 80F 0.523364 0.817073
222 Y3J 0.521127 0.746479
223 YSA 0.520833 0.776471
224 7RP 0.518987 0.955882
225 BTX 0.518868 0.839506
226 NAD 0.518868 0.930556
227 COD 0.518868 0.788235
228 G A A A 0.518868 0.87013
229 MHZ 0.518072 0.714286
230 SA8 0.517647 0.725
231 6AD 0.517241 0.883117
232 DZD 0.514019 0.858974
233 BT5 0.514019 0.829268
234 RMB 0.5125 0.898551
235 SAI 0.511628 0.753247
236 AV2 0.511364 0.890411
237 8PZ 0.510417 0.776471
238 A3D 0.509259 0.917808
239 A3S 0.506024 0.808219
240 3AT 0.505747 0.943662
241 SAM 0.505747 0.707317
242 SMM 0.505618 0.702381
243 NA7 0.505376 0.931507
244 4TA 0.504673 0.804878
245 AMP NAD 0.504673 0.90411
246 EEM 0.5 0.707317
247 G 0.5 0.905405
248 NEC 0.5 0.743243
249 5GP 0.5 0.905405
250 AAT 0.5 0.725
251 YLY 0.495495 0.807229
252 M24 0.495495 0.848101
253 7C5 0.494949 0.815789
254 DAT 0.494118 0.878378
255 A3T 0.494118 0.819444
256 P2P 0.493827 0.928571
257 FAI 0.493827 0.888889
258 1RB 0.493671 0.911765
259 NAE 0.491071 0.893333
260 U A 0.490909 0.906667
261 NAJ PZO 0.490909 0.846154
262 A G 0.490741 0.881579
263 TM1 0.489583 0.771084
264 A A A 0.489362 0.90411
265 A6D 0.489362 0.740741
266 PO4 PO4 A A A A PO4 0.489362 0.901408
267 S7M 0.488889 0.707317
268 DTP 0.488636 0.878378
269 RBZ 0.4875 0.873239
270 101 0.4875 0.902778
271 EAD 0.486957 0.848101
272 NAQ 0.486726 0.87013
273 U A G G 0.486239 0.881579
274 4YB 0.485149 0.758621
275 NDE 0.483051 0.931507
276 ZID 0.482456 0.917808
277 N0B 0.482456 0.817073
278 WSA 0.480769 0.785714
279 RGT 0.479592 0.931507
280 ARU 0.478723 0.835443
281 GGZ 0.478261 0.8
282 JLN 0.47561 0.863014
283 ANZ 0.475248 0.820513
284 QQY 0.475 0.837838
285 ACK 0.475 0.885714
286 NAJ PYZ 0.473684 0.804878
287 S8M 0.473118 0.779221
288 GEK 0.473118 0.734177
289 AVV 0.473118 0.87013
290 3AD 0.472973 0.828571
291 A U 0.471698 0.868421
292 P1H 0.470588 0.82716
293 0UM 0.468085 0.716049
294 RVP 0.467532 0.847222
295 649 0.466667 0.741573
296 Z5A 0.465517 0.776471
297 PMO 0.464286 0.873239
298 SXZ 0.463918 0.707317
299 62X 0.463158 0.682353
300 QQX 0.4625 0.826667
301 8Q2 0.462264 0.75
302 2VA 0.45977 0.797297
303 IMP 0.458824 0.90411
304 K15 0.458333 0.698795
305 CC5 0.458333 0.84058
306 AS 0.457831 0.855263
307 DDS 0.455556 0.851351
308 V1N 0.455446 0.943662
309 NJP 0.454545 0.918919
310 7DD 0.453488 0.957143
311 93A 0.453488 0.804878
312 G7M 0.453488 0.87013
313 3L1 0.453333 0.77027
314 3D1 0.453333 0.77027
315 EO7 0.452381 0.785714
316 NDC 0.45082 0.87013
317 FB0 0.45082 0.781609
318 0WD 0.45045 0.894737
319 NVA 2AD 0.449438 0.75641
320 26A 0.447368 0.76
321 2FA 0.447368 0.810811
322 2BA 0.447059 0.914286
323 CMP 0.447059 0.927536
324 D3Y 0.446809 0.786667
325 KB1 0.444444 0.716049
326 APU 0.444444 0.893333
327 VRT 0.444444 0.766234
328 SO8 0.444444 0.786667
329 FDA 0.443548 0.809524
330 PUA 0.443478 0.858974
331 ODP 0.441441 0.883117
332 6FA 0.44 0.817073
333 103 0.439024 0.861111
334 RP1 0.439024 0.864865
335 SP1 0.439024 0.864865
336 3NZ 0.438776 0.779221
337 A C A C 0.438596 0.846154
338 7DT 0.438202 0.957143
339 NDP 0.436364 0.894737
340 NPW 0.436364 0.860759
341 MTP 0.434211 0.727273
342 FAS 0.433071 0.82716
343 SFD 0.433071 0.712766
344 FAD 0.433071 0.82716
345 IRN 0.432432 0.867647
346 ZZB 0.432432 0.792683
347 TXP 0.432432 0.894737
348 NZQ 0.432432 0.883117
349 62F 0.430769 0.8375
350 FNK 0.430769 0.781609
351 128 0.429907 0.752941
352 1DA 0.428571 0.842857
353 6MD 0.428571 0.805556
354 PAX 0.428571 0.82716
355 SLU 0.426087 0.767442
356 XNP 0.424779 0.848101
357 12D 0.424528 0.761905
358 5F1 0.423077 0.72973
359 ETB 0.422414 0.809524
360 DCA 0.422414 0.8
361 F0P 0.422018 0.725
362 WMP 0.421053 0.864865
363 GUO 0.421053 0.864865
364 FAY 0.416667 0.8375
365 38Y 0.415929 0.804878
366 5J9 0.415842 0.728395
367 COA 0.415254 0.8
368 0T1 0.415254 0.8
369 KH3 0.415094 0.690476
370 U A C C 0.413793 0.857143
371 N01 0.413793 0.90411
372 FMP 0.413793 0.871429
373 RFL 0.413534 0.797619
374 NMN AMP PO4 0.412281 0.868421
375 GP2 0.408602 0.858974
376 GDP 0.408602 0.893333
377 NAP 0.408333 0.944444
378 NOC 0.407895 0.760563
379 2ER 0.405941 0.831169
380 1PR 0.405941 0.820513
381 P5F 0.405797 0.8
382 CAO 0.404959 0.772727
383 TAP 0.404959 0.906667
384 30N 0.404959 0.731183
385 COS 0.404959 0.781609
386 AMX 0.404959 0.809524
387 XMP 0.402299 0.891892
388 G2P 0.402062 0.858974
389 APC G U 0.401709 0.833333
390 U A A U 0.401639 0.906667
391 CMX 0.401639 0.8
392 NA0 0.401639 0.931507
393 SCO 0.401639 0.8
394 9JJ 0.40146 0.8375
395 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 with APoc: 425
This union binding pocket(no: 1) in the query (biounit: 4he2.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 1UO5 PIH None
3 3KIF GDL None
4 4OR7 NAP None
5 3ZLR X0B None
6 4PYA 2X3 None
7 3RET PYR None
8 3RET SAL None
9 3DFR NDP None
10 1GXU 2HP None
11 2BO4 FLC 0.887574
12 1VHD NAP 1.18343
13 1GR0 NAD 1.47929
14 2RGH FAD 1.47929
15 5VRH OLB 1.47929
16 5XKT GNP 1.5
17 3BC1 GNP 1.53846
18 1JI0 ATP 1.66667
19 4G86 BNT 1.76056
20 5O2T GSP 1.77515
21 1Y1P NMN AMP PO4 1.77515
22 4N02 FNR 1.77515
23 4M52 FAD 1.77515
24 5V2J UDP 1.77515
25 5V2J 7WV 1.77515
26 4EIL NDP 1.77515
27 2ACV UDP 1.77515
28 2IXE ATP 1.84502
29 3QVP FAD 2.07101
30 4RW3 TDA 2.07101
31 1CX9 NHP 2.07101
32 4RIF 3R2 2.07101
33 1ZOA 140 2.07101
34 5GUD NDP 2.07101
35 1MVN PCO 2.07101
36 1MVN FMN 2.07101
37 2IYA UDP 2.07101
38 2WPX ACO 2.07101
39 5BVA FAD 2.07101
40 6A1G 9OL 2.07101
41 4AG5 ADP 2.07101
42 5W4W 9WG 2.1148
43 4E5N NAD 2.12121
44 3GAY P6T 2.16718
45 4UXH T5A 2.17391
46 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 2.29885
47 2WLG SOP 2.32558
48 2WPW ACO 2.35988
49 1H74 ADP 2.36486
50 2AWN ADP 2.36686
51 4I4B 1CV 2.36686
52 1U3G ADP 2.36686
53 3DER ALA LYS 2.36686
54 3ITJ CIT 2.36686
55 2B4R NAD 2.36686
56 2ZCQ B65 2.38908
57 2VBQ BSJ 2.42424
58 5F7J ADE 2.5
59 3GZ9 D32 2.60223
60 3I9U DTU 2.6616
61 2OG2 MLI 2.66272
62 4YJ1 ADP 2.66272
63 4JB1 FAD 2.66272
64 4JB1 NAP 2.66272
65 4ZCC NAI 2.66272
66 4ZCC FAD 2.66272
67 5H68 AGS 2.66272
68 1BZL GCG 2.66272
69 2GMH FAD 2.66272
70 2X7J TPP 2.66272
71 2ZR9 DTP 2.66272
72 2XTZ GSP 2.66272
73 5VJE GOS 2.66272
74 4IVG ANP 2.66272
75 2VZZ SCA 2.66272
76 4Z0H NAD 2.69461
77 3WXL ADP 2.7027
78 3QVV 3QV 2.71186
79 3QVV A3P 2.71186
80 1G6H ADP 2.72374
81 3FB4 AP5 2.77778
82 4BFW ZVW 2.83019
83 2E2R 2OH 2.86885
84 5NTP 98E 2.94118
85 6BYF CIT 2.94118
86 2CBZ ATP 2.95359
87 1YQT ADP 2.95858
88 4D9C PMP 2.95858
89 6AMI TRP 2.95858
90 6CUZ FEV 2.95858
91 5ZXD ATP 2.95858
92 6F7L FAD 2.95858
93 3F3E LEU 2.95858
94 3OIX FMN 2.95858
95 5EXW 7DT 2.95858
96 1VGV UD1 2.95858
97 6AM8 PLT 2.95858
98 5B48 TDN 2.95858
99 4YRD 3IT 2.95858
100 3B9Q MLI 2.98013
101 2JL1 NAP 3.13589
102 5G41 AP5 3.13901
103 1ZPD DPX 3.16901
104 5OCG GNP 3.1746
105 5YBN AKG 3.18471
106 1ZD9 GDP 3.19149
107 3I54 CMP 3.21285
108 4FC7 COA 3.2491
109 4FC7 NAP 3.2491
110 3S2U UD1 3.25444
111 1RM0 NAI 3.25444
112 3VP6 HLD 3.25444
113 4QYS PLR 3.25444
114 6F3M NAD 3.25444
115 1X6V ADP 3.25444
116 3C56 PH4 3.25733
117 3N9R TD3 3.25733
118 6A0S HSE 3.31325
119 6A0S NDP 3.31325
120 1USF NAP 3.37079
121 3HGM ATP 3.40136
122 4BMO FMN 3.41615
123 1DL5 SAH 3.47003
124 6FLZ MMA 3.47222
125 6B2M COA 3.4965
126 3NHB ADP 3.5503
127 3WMX THR 3.5503
128 3WMX NAD 3.5503
129 1SVK ALF GDP 3.5503
130 1D1G NDP 3.5503
131 6EOA FMN 3.5503
132 3QF7 ANP 3.5503
133 4WZH FMN 3.5503
134 3NJ4 NAD 3.5503
135 1BXK NAD 3.5503
136 1GP2 GDP 3.5503
137 2HFU MEV 3.61446
138 5JE8 NAD 3.64238
139 1Y3A GDP 3.64742
140 1KYQ NAD 3.64964
141 1RRC ADP 3.65448
142 6CB2 OLC 3.75427
143 1BH2 GSP 3.80952
144 1B0U ATP 3.81679
145 4DP3 MMV 3.84615
146 4DP3 NDP 3.84615
147 3KJS DQ1 3.84615
148 3KJS NAP 3.84615
149 4CNK FAD 3.84615
150 2VPY PCI 3.84615
151 2YY7 NAD 3.84615
152 5FB3 NDP 3.84615
153 1RM4 NDP 3.85757
154 4NTO 1PW 3.86473
155 5XFV FMN 3.89222
156 1G8S MET 3.91304
157 4N82 FMN 3.93258
158 5VEG FMN 3.93258
159 5Y1G AKB 3.96341
160 5Y1G NAD 3.96341
161 2CHG ANP 3.9823
162 1VBO MAN 4.02685
163 3ZCB ATP 4.0404
164 5K4W THR 4.04984
165 5K4W NAI 4.04984
166 2BES RES 4.06977
167 1G3M PCQ 4.08163
168 1G3M A3P 4.08163
169 1FQK GDP 4.08163
170 3B96 MYA 4.08859
171 1QV1 CZH 4.10256
172 5URY PAM 4.10959
173 4HEQ FMN 4.10959
174 3B5J 12D 4.11523
175 5GVR LMR 4.14201
176 3RLF ANP 4.14201
177 3WCA FPS 4.14201
178 3HWW AKG 4.14201
179 5E9G GLV 4.14201
180 3HBF UDP 4.14201
181 2VVG ADP 4.14201
182 1ZIN AP5 4.14747
183 2AQX ATP 4.15225
184 1IBR GNP 4.16667
185 3X1Z GNP 4.19162
186 1V3S ATP 4.31034
187 3F8K COA 4.375
188 5W6Y TRP 4.43038
189 5ESO TDP 4.43787
190 5ESO ISC 4.43787
191 4MIG G3F 4.43787
192 2ZTS ADP 4.43787
193 4YRY FAD 4.43787
194 6F97 FAD 4.43787
195 2NV2 GLN 4.43787
196 4CYD CMP 4.44444
197 5E5U MLI 4.52261
198 1AKY AP5 4.54545
199 3M1I GTP 4.56621
200 5LX9 OLB 4.57746
201 3RG9 WRA 4.58333
202 3RG9 NDP 4.58333
203 3WYF GTP 4.62185
204 3KP6 SAL 4.63576
205 1J3I NDP 4.64286
206 3LTW HLZ 4.64286
207 1H0H 2MD 4.6729
208 1UHK CZN 4.71204
209 4KVL PLM 4.73373
210 2C1X UDP 4.73373
211 4Z24 FAD 4.73373
212 3QKT ANP 4.73373
213 1T5C ADP 4.73373
214 1ZCB GDP 4.73373
215 3QLM PLM 4.83871
216 3EEL 53T 4.84582
217 2RGX AP5 4.85437
218 3RWO GDP 4.86486
219 2GJN FMN 4.87805
220 3IA4 NDP 4.93827
221 3KUD GDP 4.93827
222 1GUA GNP 4.93827
223 4HDQ GNP 4.96894
224 4HAT GNP 5
225 6CRK GDP 5.01931
226 4PPF FLC 5.02959
227 3EWC MCF 5.02959
228 3NRR NAP 5.02959
229 3NRR D16 5.02959
230 4MRP GSH 5.02959
231 6BVM GNP 5.02959
232 6BVI GNP 5.02959
233 6D5M GNP 5.02959
234 6D5E GNP 5.02959
235 6D55 GNP 5.02959
236 6BVJ GNP 5.02959
237 6BVL GNP 5.02959
238 6D56 GNP 5.02959
239 6D5J GNP 5.02959
240 6D5G GNP 5.02959
241 6BVK GNP 5.02959
242 6D5L GNP 5.02959
243 6D59 GNP 5.02959
244 6D5H GNP 5.02959
245 6D5V GNP 5.02959
246 3LN9 FLC 5.03597
247 2G86 UMP 5.06329
248 5MW4 5JU 5.08982
249 1WQ1 GDP 5.08982
250 5AJU RP5 5.10949
251 1JF0 CZH 5.12821
252 2CB3 MLD 5.14286
253 5A96 GTP 5.22088
254 2OFW ADX 5.28846
255 3ZLM ANP 5.31915
256 4A22 TD4 5.32544
257 5WKC TP9 5.32544
258 5WKC AUJ 5.32544
259 1XMV ADP 5.32544
260 5Z75 NAD 5.32544
261 2IYF UDP 5.32544
262 1T9D P22 5.32544
263 4QO5 NAG 5.32544
264 1J0X NAD 5.42169
265 6GNC FAD 5.44218
266 2BL9 NDP 5.46218
267 2BL9 CP6 5.46218
268 1KSK URA 5.55556
269 5UWJ GNP 5.6213
270 5UWI GNP 5.6213
271 5UWU GNP 5.6213
272 5UWW GNP 5.6213
273 5DI9 GNP 5.6213
274 6CIT GNP 5.6213
275 5UWT GNP 5.6213
276 5DIF GNP 5.6213
277 5UWO GNP 5.6213
278 5UWQ GNP 5.6213
279 5DHF GNP 5.6213
280 5UWP GNP 5.6213
281 5UWS GNP 5.6213
282 5UWH GNP 5.6213
283 3RS8 APR 5.6213
284 1XP8 AGS 5.6213
285 1G51 AMO 5.6213
286 1WA5 GTP 5.68182
287 6BA2 7KM 5.76271
288 5NUL FMN 5.7971
289 1EQ2 NAP 5.80645
290 1TAD ALF 5.8642
291 1TAD GDP 5.8642
292 3GJX GTP 5.91716
293 2VCH UDP 5.91716
294 3FVQ ATP 5.91716
295 2WOJ ADP ALF 5.91716
296 2D2F ADP 6
297 4ZOH MCN 6.11511
298 2PEZ DAT 6.14525
299 2PEZ GGZ 6.14525
300 1JJ7 ADP 6.15385
301 4U7W NDP 6.19048
302 2W9S NDP 6.21118
303 6AU6 GDP 6.21302
304 3AYI HCI 6.21302
305 3AYI FAD 6.21302
306 4K81 GTP 6.21302
307 2VVL FAD 6.21302
308 6C2Z P1T 6.21302
309 4R74 F6P 6.23053
310 1AOE GW3 6.25
311 1AOE NDP 6.25
312 5LXT GDP 6.29371
313 5LXT 7AK 6.29371
314 3RYC GTP 6.29371
315 5G3N X28 6.29921
316 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 6.31579
317 4LHW GNP 6.32184
318 1L2T ATP 6.38298
319 3CX8 GSP 6.40394
320 4ZKD GDP 6.50888
321 1OVD ORO 6.50888
322 1OVD FMN 6.50888
323 1JBW ACQ 6.50888
324 1JBW TMF 6.50888
325 4I4Z 2NE 6.54545
326 4U00 ADP 6.55738
327 4KFU ACP 6.60377
328 1CS4 GSP 6.60377
329 4YMU ATP 6.66667
330 4UNR QZE 6.66667
331 5NM7 GLY 6.76692
332 2JAQ DCP 6.82927
333 2C5L GTP 6.83761
334 2V2V V12 7.01107
335 5T9F TYR 7.01107
336 5J1S ATP 7.04225
337 4JEM C5P 7.05882
338 1LVK MNT BEF 7.10059
339 4LAE NAP 7.18563
340 4LAE 1VM 7.18563
341 1I36 NAP 7.19697
342 3BAZ NAP 7.20721
343 4WZ6 ATP 7.39645
344 5X40 ACP 7.69231
345 1OBV FMN 7.69231
346 4NU0 AP5 7.8341
347 2B3D FAD 7.84314
348 3WYG GTP 7.89474
349 2UZI GTP 7.89474
350 1NN5 2DT 7.90698
351 1NN5 ANP 7.90698
352 2PZE ATP 7.98817
353 1GPM AMP 7.98817
354 4R2I ANP 8.09524
355 5XDT MB3 8.11688
356 5XDT GDP 8.11688
357 5X80 SAL 8.125
358 4MKG AP5 8.29493
359 5L2R LMR 8.57988
360 1GQ2 NAP 8.57988
361 4RFM 3P6 8.64662
362 3R1V AZB 8.66142
363 6FA4 GNP 8.67052
364 1S3G AP5 8.75576
365 5ZBL AMP 8.86699
366 2ZL4 ALA ALA ALA ALA 8.87574
367 4KM2 ATR 8.93855
368 4KM2 TOP 8.93855
369 4PVV HO4 8.95062
370 5X9D 80F 9.21053
371 3KTA AP5 9.24856
372 6CEP NAD 9.28144
373 6CEP OXM 9.28144
374 1XEX ATP 9.30233
375 4X8O AP5 9.34579
376 4Z87 5GP 9.46746
377 6FSG FMN 9.52381
378 1GOT GDP 9.58904
379 3KB6 NAD 9.88024
380 3K7S R52 10.0559
381 2J5V PCA 10.0592
382 3DDC GNP 10.0592
383 6CS8 F9Y 10.231
384 5THY SAH 10.355
385 1GZ4 ATP 10.355
386 5ZB0 ADP 10.6061
387 5ZB0 TYD 10.6061
388 1ZEM NAD 10.687
389 3VPB GLU 10.7143
390 1F2U ATP 10.8108
391 5B47 TPP 10.9467
392 5B47 PYR 10.9467
393 5UWR GNP 11.1111
394 3TMK T5A 11.1111
395 4XT8 NAP 11.2403
396 4XT8 TMQ 11.2403
397 4WBD CIT 11.2426
398 1N62 MCN 11.4458
399 1N62 FAD 11.4458
400 1OS1 ATP 11.8343
401 1OS1 PYR 11.8343
402 3AQT RCO 12.2449
403 1AKV FMN 12.2449
404 4MOP 2H5 12.426
405 3KPX CZH 12.6263
406 1SVM ATP 12.7219
407 1P72 ADP 13.0178
408 5OCA 9QZ 13.0252
409 3V1Y NAD 13.3136
410 4ITM ATP 13.3333
411 1TU3 GNP 13.9241
412 1FQJ GDP 14.2857
413 4R29 SAM 14.2857
414 4KXL 6C6 14.4737
415 3F6R FMN 14.8649
416 3KAP FMN 14.966
417 2ODE ALF GDP 15.6028
418 3RV5 DXC 15.7303
419 6GAQ FMN 16.2338
420 3QXV MTX 18.254
421 4P5E N6P 19.7368
422 2CK3 ADP 22
423 2J9C ATP 23.5294
424 4OGQ 7PH 24.3243
425 5YV5 ADP 38.8889
Pocket No.: 2; Query (leader) PDB : 4HE2; Ligand: AMP; 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: 4he2.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4HE2; Ligand: AMP; 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: 4he2.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4HE2; Ligand: AMP; 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: 4he2.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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