-->
Receptor
PDB id Resolution Class Description Source Keywords
4IP7 1.8 Å EC: 2.7.1.40 STRUCTURE OF THE S12D VARIANT OF HUMAN LIVER PYRUVATE KINASE COMPLEX WITH CITRATE AND FBP. HOMO SAPIENS KINASE GLYCOLYSIS ALLOSTERIC PHOSPHORYLATION MIMIC LIVERTRANSFERASE
Ref.: ENERGETIC COUPLING BETWEEN AN OXIDIZABLE CYSTEINE A PHOSPHORYLATABLE N-TERMINUS OF HUMAN LIVER PYRUVATE BIOCHEMISTRY V. 52 466 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO D:606;
B:606;
B:604;
C:601;
D:605;
D:607;
A:604;
A:605;
C:607;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FBP A:603;
D:603;
C:604;
B:603;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
340.116 C6 H14 O12 P2 C([C@...
FLC A:602;
B:602;
C:603;
D:602;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
189.1 C6 H5 O7 C(C(=...
NA C:608;
A:607;
B:607;
D:608;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
1PE C:606;
C:605;
Invalid;
Invalid;
none;
none;
submit data
238.278 C10 H22 O6 C(COC...
MN A:601;
C:602;
B:601;
D:601;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
ADN D:604;
Valid;
none;
submit data
267.241 C10 H13 N5 O4 c1nc(...
PEG B:605;
A:606;
Invalid;
Invalid;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IP7 1.8 Å EC: 2.7.1.40 STRUCTURE OF THE S12D VARIANT OF HUMAN LIVER PYRUVATE KINASE COMPLEX WITH CITRATE AND FBP. HOMO SAPIENS KINASE GLYCOLYSIS ALLOSTERIC PHOSPHORYLATION MIMIC LIVERTRANSFERASE
Ref.: ENERGETIC COUPLING BETWEEN AN OXIDIZABLE CYSTEINE A PHOSPHORYLATABLE N-TERMINUS OF HUMAN LIVER PYRUVATE BIOCHEMISTRY V. 52 466 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4IP7 - FBP C6 H14 O12 P2 C([C@@H]1[....
2 4IMA - FLC C6 H5 O7 C(C(=O)[O-....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3BJF - FBP C6 H14 O12 P2 C([C@@H]1[....
2 6B6U - OXL C2 O4 C(=O)(C(=O....
3 4QG8 - MLI C3 H2 O4 C(C(=O)[O-....
4 4JPG - 1OX C16 H12 N4 O c1ccc2c(c1....
5 4G1N - NZT C24 H22 N6 O3 S c1cc2cccnc....
6 1A49 - OXL C2 O4 C(=O)(C(=O....
7 2G50 - PYR C3 H4 O3 CC(=O)C(=O....
8 6GG4 - PHE C9 H11 N O2 c1ccc(cc1)....
9 5X1V - FBP C6 H14 O12 P2 C([C@@H]1[....
10 3N25 - PRO C5 H9 N O2 C1C[C@H](N....
11 1A5U - OXL C2 O4 C(=O)(C(=O....
12 4IP7 - FBP C6 H14 O12 P2 C([C@@H]1[....
13 4IMA - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5WSC - G6P C6 H13 O9 P C([C@@H]1[....
2 5WSB - G6P C6 H13 O9 P C([C@@H]1[....
3 5WS9 - OXL C2 O4 C(=O)(C(=O....
4 3BJF - FBP C6 H14 O12 P2 C([C@@H]1[....
5 6B6U - OXL C2 O4 C(=O)(C(=O....
6 4QG8 - MLI C3 H2 O4 C(C(=O)[O-....
7 4JPG - 1OX C16 H12 N4 O c1ccc2c(c1....
8 4G1N - NZT C24 H22 N6 O3 S c1cc2cccnc....
9 1A49 - OXL C2 O4 C(=O)(C(=O....
10 2G50 - PYR C3 H4 O3 CC(=O)C(=O....
11 6GG4 - PHE C9 H11 N O2 c1ccc(cc1)....
12 5X1V - FBP C6 H14 O12 P2 C([C@@H]1[....
13 3N25 - PRO C5 H9 N O2 C1C[C@H](N....
14 1A5U - OXL C2 O4 C(=O)(C(=O....
15 3QV9 - QV7 C22 H16 N4 O13 S4 c1cc(ccc1/....
16 3HQP - FDP C6 H14 O12 P2 C([C@@H]1[....
17 3QV8 - S62 C7 H5 N O6 S3 c1cc2c(cc1....
18 3PP7 - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
19 4IP7 - FBP C6 H14 O12 P2 C([C@@H]1[....
20 4IMA - FLC C6 H5 O7 C(C(=O)[O-....
21 4KCV - FDP C6 H14 O12 P2 C([C@@H]1[....
22 4KCT - PYR C3 H4 O3 CC(=O)C(=O....
23 4HYW - FDP C6 H14 O12 P2 C([C@@H]1[....
24 4KCU - MLT C4 H6 O5 C([C@H](C(....
25 4HYV - PEP C3 H5 O6 P C=C(C(=O)O....
26 4KCW - OXL C2 O4 C(=O)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FBP; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 AFP 1 1
2 FBP 1 1
3 F1X 0.744186 0.954545
4 TA6 0.666667 0.954545
5 F6P 0.666667 0.954545
6 FDP 0.462963 0.954545
7 OI7 0.448276 0.976744
8 F1P 0.418182 0.847826
9 AHG 0.404255 0.930233
Ligand no: 2; Ligand: FLC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
Ligand no: 3; Ligand: ADN; Similar ligands found: 305
No: Ligand ECFP6 Tc MDL keys Tc
1 RAB 1 1
2 ADN 1 1
3 XYA 1 1
4 5N5 0.811321 0.967742
5 5CD 0.796296 0.920635
6 A4D 0.796296 0.967742
7 MTA 0.758621 0.878788
8 EP4 0.754386 0.852941
9 M2T 0.741379 0.828571
10 DTA 0.741379 0.865672
11 AMP 0.709677 0.842857
12 A 0.709677 0.842857
13 3DH 0.704918 0.878788
14 ZAS 0.68254 0.84058
15 LMS 0.68254 0.7375
16 5AD 0.672727 0.854839
17 SRA 0.671875 0.797297
18 6RE 0.671875 0.830986
19 DSH 0.661538 0.842857
20 AOC 0.661538 0.907692
21 7D7 0.660714 0.875
22 ABM 0.651515 0.819444
23 A2D 0.651515 0.84507
24 J7C 0.651515 0.842857
25 A3N 0.651515 0.923077
26 ADP 0.647059 0.84507
27 S4M 0.641791 0.766234
28 GJV 0.641791 0.819444
29 3AM 0.640625 0.828571
30 AN2 0.637681 0.833333
31 BA3 0.632353 0.84507
32 A12 0.632353 0.810811
33 AP2 0.632353 0.810811
34 MAO 0.632353 0.75641
35 Y3J 0.627119 0.828125
36 5AS 0.623188 0.714286
37 AP5 0.623188 0.84507
38 B4P 0.623188 0.84507
39 ATP 0.619718 0.84507
40 HEJ 0.619718 0.84507
41 5X8 0.619718 0.865672
42 AT4 0.614286 0.810811
43 A7D 0.614286 0.909091
44 SON 0.614286 0.786667
45 5FA 0.611111 0.84507
46 AQP 0.611111 0.84507
47 APC 0.611111 0.810811
48 26A 0.606557 0.893939
49 2FA 0.606557 0.924242
50 ADX 0.605634 0.759494
51 AU1 0.605634 0.821918
52 CA0 0.605634 0.821918
53 MHZ 0.605634 0.75641
54 M33 0.605634 0.833333
55 AGS 0.60274 0.8
56 AD9 0.60274 0.821918
57 SAP 0.60274 0.8
58 2AM 0.6 0.842857
59 ACP 0.597222 0.821918
60 SFG 0.597222 0.850746
61 50T 0.597222 0.833333
62 MTP 0.590164 0.852941
63 APR 0.589041 0.84507
64 PRX 0.589041 0.797297
65 AR6 0.589041 0.84507
66 A3G 0.588235 0.938462
67 ACQ 0.586667 0.821918
68 T99 0.586667 0.810811
69 TAT 0.586667 0.810811
70 A3P 0.585714 0.816901
71 SA8 0.581081 0.794521
72 RBY 0.581081 0.810811
73 A5D 0.581081 0.865672
74 ADP PO3 0.581081 0.842857
75 ADV 0.581081 0.810811
76 6MD 0.580645 0.952381
77 1DA 0.580645 1
78 ADQ 0.575 0.847222
79 OVE 0.573529 0.808219
80 SAH 0.573333 0.84058
81 G5A 0.573333 0.714286
82 SAI 0.573333 0.828571
83 A22 0.56962 0.833333
84 ANP 0.565789 0.821918
85 GAP 0.565789 0.821918
86 SAM 0.565789 0.773333
87 NEC 0.565217 0.876923
88 3AD 0.564516 0.951613
89 6YZ 0.564103 0.821918
90 25A 0.5625 0.819444
91 7D5 0.560606 0.780822
92 5AL 0.558442 0.808219
93 AAT 0.558442 0.819444
94 EEM 0.558442 0.773333
95 ADP ALF 0.551282 0.776316
96 ATF 0.551282 0.810811
97 A5A 0.551282 0.719512
98 ALF ADP 0.551282 0.776316
99 CC5 0.55 0.935484
100 A3S 0.547945 0.953125
101 SSA 0.544304 0.73494
102 S7M 0.544304 0.773333
103 ADP VO4 0.544304 0.808219
104 VO4 ADP 0.544304 0.808219
105 SRP 0.544304 0.810811
106 SMM 0.544304 0.74359
107 QQX 0.544118 0.756757
108 S8M 0.54321 0.805556
109 ADP BMA 0.542169 0.847222
110 A2P 0.541667 0.802817
111 3L1 0.539683 0.907692
112 3D1 0.539683 0.907692
113 PAP 0.539474 0.830986
114 VMS 0.5375 0.702381
115 52H 0.5375 0.694118
116 54H 0.5375 0.702381
117 LSS 0.536585 0.678161
118 QQY 0.536232 0.767123
119 ACK 0.536232 0.811594
120 A3T 0.533333 0.968254
121 53H 0.530864 0.694118
122 5CA 0.530864 0.73494
123 TSB 0.530864 0.731707
124 8X1 0.530864 0.689655
125 MAP 0.530864 0.8
126 DAL AMP 0.530864 0.808219
127 OOB 0.52439 0.808219
128 9ZA 0.52439 0.766234
129 8QN 0.52439 0.808219
130 5SV 0.52439 0.75641
131 9ZD 0.52439 0.766234
132 GEK 0.52439 0.805556
133 OAD 0.52381 0.821918
134 9X8 0.52381 0.8
135 25L 0.523256 0.833333
136 PPS 0.518987 0.7375
137 DSZ 0.518072 0.714286
138 AMO 0.518072 0.810811
139 A1R 0.518072 0.813333
140 A3R 0.518072 0.813333
141 0UM 0.518072 0.808219
142 4AD 0.518072 0.8
143 PAJ 0.518072 0.792208
144 NSS 0.518072 0.714286
145 A A 0.517647 0.819444
146 6CR 0.515152 0.910448
147 SP1 0.514286 0.77027
148 RP1 0.514286 0.77027
149 2VA 0.513158 0.938462
150 DLL 0.511905 0.808219
151 AHX 0.511905 0.802632
152 00A 0.511905 0.766234
153 62X 0.511905 0.74359
154 NVA LMS 0.511905 0.670455
155 3OD 0.511628 0.821918
156 PTJ 0.511628 0.75641
157 ME8 0.511628 0.728395
158 7D3 0.506849 0.783784
159 V3L 0.506329 0.819444
160 A6D 0.505882 0.763158
161 LEU LMS 0.505882 0.670455
162 K15 0.505882 0.763158
163 3UK 0.505882 0.797297
164 GSU 0.5 0.694118
165 B5V 0.5 0.786667
166 P5A 0.5 0.681818
167 KAA 0.5 0.689655
168 NVA 2AD 0.5 0.884058
169 PR8 0.5 0.759494
170 CMP 0.5 0.826087
171 LAD 0.5 0.769231
172 ATR 0.5 0.816901
173 5F1 0.5 0.80597
174 2BA 0.5 0.814286
175 WAQ 0.5 0.766234
176 AD3 0.5 1
177 ATP A A A 0.494382 0.830986
178 9K8 0.494253 0.670455
179 JB6 0.494253 0.766234
180 1ZZ 0.494253 0.728395
181 FYA 0.494253 0.808219
182 SXZ 0.494253 0.773333
183 TXA 0.494253 0.810811
184 BIS 0.494253 0.789474
185 NB8 0.494253 0.779221
186 SO8 0.493671 0.924242
187 VRT 0.493671 0.897059
188 IVH 0.493333 0.835616
189 KB1 0.488636 0.783784
190 MYR AMP 0.488636 0.728395
191 2A5 0.487179 0.797297
192 NOC 0.484375 0.903226
193 4UV 0.483516 0.776316
194 9SN 0.483146 0.75641
195 A2R 0.481928 0.833333
196 7D4 0.480519 0.783784
197 FA5 0.477778 0.786667
198 YAP 0.477778 0.776316
199 B5Y 0.477778 0.776316
200 B5M 0.477778 0.776316
201 8PZ 0.477778 0.714286
202 D3Y 0.47619 0.924242
203 AR6 AR6 0.473118 0.819444
204 AFH 0.473118 0.792208
205 YSA 0.472527 0.694118
206 XAH 0.472527 0.75
207 EKK 0.469697 0.923077
208 TBN 0.46875 0.983607
209 3BH 0.46875 0.953125
210 AMP DBH 0.467391 0.821918
211 TYR AMP 0.467391 0.776316
212 101 0.465753 0.780822
213 LAQ 0.463158 0.728395
214 TO1 0.462687 0.952381
215 G3A 0.462366 0.779221
216 7C5 0.462366 0.819444
217 UPA 0.459184 0.813333
218 LPA AMP 0.458333 0.728395
219 G5P 0.457447 0.779221
220 7MD 0.457447 0.772152
221 ARG AMP 0.457447 0.740741
222 4UU 0.457447 0.776316
223 GA7 0.457447 0.835616
224 A A A 0.454545 0.808219
225 EKH 0.454545 0.923077
226 5ID 0.454545 0.923077
227 TAD 0.452632 0.769231
228 4YB 0.452632 0.678161
229 GTA 0.452632 0.75
230 KH3 0.452632 0.776316
231 DQV 0.452632 0.833333
232 3NZ 0.449438 0.884058
233 WSA 0.44898 0.702381
234 OMR 0.44898 0.740741
235 TYM 0.44898 0.786667
236 AHZ 0.447917 0.728395
237 FTU 0.447761 0.923077
238 139 0.445545 0.782051
239 YLP 0.443299 0.731707
240 48N 0.443299 0.779221
241 AFX 0.441176 0.768116
242 ARJ 0.441176 0.857143
243 AV2 0.440476 0.77027
244 DA 0.44 0.756757
245 D5M 0.44 0.756757
246 5J9 0.43956 0.773333
247 UP5 0.438776 0.8
248 NAI 0.438776 0.789474
249 NXX 0.438776 0.810811
250 NAX 0.438776 0.759494
251 6V0 0.438776 0.779221
252 4UW 0.438776 0.746835
253 TXD 0.438776 0.789474
254 DND 0.438776 0.810811
255 NA7 0.438202 0.810811
256 PO4 PO4 A A A A PO4 0.438202 0.802817
257 MZR 0.4375 0.859375
258 V1N 0.43617 0.819444
259 HO4 0.434783 0.952381
260 TXE 0.434343 0.789474
261 649 0.434343 0.662921
262 AF3 ADP 3PG 0.434343 0.746835
263 IMO 0.434211 0.777778
264 3AT 0.433735 0.819444
265 G A A A 0.432692 0.779221
266 8Q2 0.43 0.689655
267 F0P 0.43 0.794521
268 AP0 0.43 0.779221
269 7MC 0.43 0.753086
270 YLC 0.43 0.75
271 YLB 0.43 0.731707
272 4TC 0.43 0.779221
273 SGV 0.428571 0.967742
274 BS5 0.427184 0.674157
275 A4P 0.425743 0.73494
276 IOT 0.421569 0.722892
277 DAT 0.419753 0.76
278 COD 0.419048 0.72619
279 T5A 0.417476 0.731707
280 ADJ 0.417476 0.740741
281 YLA 0.417476 0.731707
282 AS 0.415584 0.717949
283 J1D 0.415094 0.625
284 0XU 0.414634 0.823529
285 CNA 0.413462 0.810811
286 AYB 0.413462 0.722892
287 103 0.413333 0.716216
288 A U 0.411765 0.8
289 80F 0.411215 0.731707
290 GMP 0.410959 0.882353
291 EO7 0.410256 0.702381
292 F2R 0.409524 0.753086
293 GGZ 0.409091 0.7125
294 U A 0.407407 0.766234
295 ITT 0.407407 0.791667
296 A G 0.40566 0.766234
297 BTX 0.40566 0.710843
298 4TA 0.40566 0.719512
299 NAD 0.40566 0.808219
300 AMP NAD 0.40566 0.808219
301 SFB 0.401961 0.709302
302 DZD 0.401869 0.769231
303 U A G G 0.401869 0.766234
304 BT5 0.401869 0.702381
305 DTP 0.4 0.76
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IP7; Ligand: FBP; Similar sites found with APoc: 223
This union binding pocket(no: 1) in the query (biounit: 4ip7.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5O0Z 9GB None
2 1V8B NAD 1.25261
3 3KJS DQ1 1.34357
4 1XF1 CIT 1.4733
5 1KOJ PAN 1.4733
6 3S1S SAH 1.4733
7 6GAS FAD 1.51057
8 4JWH SAH 1.59744
9 1TLL FMN 1.65746
10 4P8K 38C 1.66667
11 4P8K FAD 1.66667
12 1KNR FAD 1.66667
13 2Q9U FMN 1.69082
14 1RSG FAD 1.74419
15 1VDC FAD 1.8018
16 2JB2 FAD 1.84049
17 2JB2 PHE 1.84049
18 4JWF SAH 1.84332
19 1VB3 KPA 1.86916
20 4UP3 FAD 1.91083
21 3W8X FTK 1.92308
22 3W8X FAD 1.92308
23 2WPF WPF 2.0202
24 6H3O FAD 2.02578
25 5HV7 RBL 2.06422
26 1YY5 FAD 2.14425
27 5FA6 NAP 2.20994
28 5FA6 FMN 2.20994
29 5FA6 FAD 2.20994
30 3FJO FMN 2.20994
31 2J0W ASP 2.22717
32 2OHH FMN 2.22772
33 6AM8 TRP 2.27273
34 6AM8 PLT 2.27273
35 6AMI TRP 2.27273
36 4PPF FLC 2.28571
37 1X9I G6Q 2.31788
38 2CHT TSA 2.3622
39 2O2C G6Q 2.39411
40 3AYI HCI 2.39411
41 3AYI FAD 2.39411
42 4WZ6 ATP 2.41379
43 5LQ8 GB 2.48227
44 3NJ4 NAD 2.52874
45 1JGT CMA 2.53411
46 1ZK7 FAD 2.56959
47 4JBL MET 2.65487
48 3ITJ FAD 2.66272
49 2Q4W FAD 2.67176
50 1MOQ GLP 2.71739
51 3MKH FAD 2.73973
52 3SBZ MLI 2.77778
53 1TAD GDP 2.77778
54 1TAD ALF 2.77778
55 3MBI HSX 2.78746
56 1SVK ALF GDP 2.83286
57 6CUZ FEV 2.83505
58 3LN9 FLC 2.8777
59 2AWN ADP 2.88714
60 5NUL FMN 2.89855
61 5AYV KPL 2.91262
62 1XFF GLU 2.91667
63 1UI0 URA 2.92683
64 5O2J 2PO 2.9304
65 2OQ5 BEN 3.01724
66 4CP8 MLI 3.08008
67 5NNS AKR 3.11111
68 1BH2 GSP 3.1746
69 1G51 AMP 3.31492
70 2DTJ THR 3.37079
71 1JG3 ADN 3.40426
72 1QF5 GDP 3.48028
73 1QF5 RPL 3.48028
74 5GXU FMN 3.49908
75 2PS1 ORO 3.53982
76 1I1N SAH 3.53982
77 2Q2Y ADP 3.54223
78 2Q2Y MKR 3.54223
79 1OBV FMN 3.5503
80 3FJG 3PG 3.58566
81 1RYO OXL 3.66972
82 4X1B MLI 3.68324
83 5TSH ADP 3.68324
84 1GZF NIR 3.79147
85 1HGX 5GP 3.82514
86 4AUT FAD 3.84615
87 4IF4 BEF 3.84615
88 1G6H ADP 3.89105
89 5LV1 78T 3.92857
90 5VEG FMN 3.93258
91 3L6R MLI 4.04624
92 4AMV F6R 4.05157
93 1PS9 FAD 4.05157
94 2POC BG6 4.08719
95 5L9O GOP 4.10448
96 4RFM 3P6 4.13534
97 1AOE GW3 4.16667
98 1AOE NDP 4.16667
99 1BVY FMN 4.18848
100 1F5N GNP 4.23573
101 1M9H NAD 4.31655
102 6F97 FAD 4.33145
103 3L6C MLI 4.42478
104 6BYF CIT 4.70588
105 1CZR FMN 4.73373
106 3KAP FMN 4.7619
107 1FEC FAD 4.89796
108 5ECP ATP 4.93274
109 4D9C PMP 4.97076
110 1EFV AMP 5.07937
111 1EFV FAD 5.07937
112 6AR9 3L4 5.14706
113 6HT0 GQ8 5.16129
114 5LMC FMN 5.21921
115 4JLS 3ZE 5.26316
116 2DT9 THR 5.38922
117 1B1C FMN 5.52486
118 4GYS MLI 5.52486
119 2ZE7 DST 5.5336
120 5IXB LGA 5.55556
121 3OZG SSI 5.6
122 5F1H 5U6 5.69106
123 2ZRU FMN 5.70652
124 6GAR FAD 5.73066
125 1TE2 PGA 5.75221
126 3I7S PYR 5.82192
127 1T57 FMN 5.82524
128 1RRC ADP 5.98007
129 5YLF BGC 5.98802
130 1BZY IMU 5.99078
131 2D2F ADP 6
132 4D9M 0JO 6.03015
133 4XT8 NAP 6.20155
134 4XT8 TMQ 6.20155
135 5MW4 5JU 6.28743
136 3GJX GTP 6.30137
137 3WYF GTP 6.30252
138 4XFR CIT 6.32318
139 5NC1 NAG 6.32911
140 2ODE ALF GDP 6.38298
141 2XTZ GSP 6.49718
142 1JJ7 ADP 6.53846
143 3OND NAD 6.55738
144 3OND ADN 6.55738
145 4OPC FDA 6.62252
146 4H2D FMN 6.66667
147 6FSG FMN 6.80272
148 5VL2 9EG 6.81818
149 4AT0 FAD 6.86275
150 1LOJ URI 6.89655
151 5VM0 9EG 7.03125
152 6FRN FMN 7.07317
153 2FWP ICR 7.10383
154 5GS9 ARG 7.12166
155 3TLJ SAH 7.5067
156 3KIF GDL 7.54717
157 5UWS GNP 7.69231
158 5UWO GNP 7.69231
159 6CIT GNP 7.69231
160 5UWW GNP 7.69231
161 5DHF GNP 7.69231
162 2WC1 FMN 7.69231
163 5UWT GNP 7.69231
164 5UWQ GNP 7.69231
165 5DIF GNP 7.69231
166 5UWJ GNP 7.69231
167 5UWI GNP 7.69231
168 5UWH GNP 7.69231
169 5UWP GNP 7.69231
170 5UWR GNP 7.69231
171 4N82 FMN 7.86517
172 1R18 SAH 7.92952
173 2IMG MLT 7.94702
174 5TQZ GLC 8
175 5TPX 7H7 8.13008
176 1O5O U5P 8.1448
177 4U00 ADP 8.19672
178 4BMO FMN 8.38509
179 3RK0 AMP 8.43882
180 3AB4 THR 8.55107
181 3AB4 LYS 8.55107
182 1AG9 FMN 8.57143
183 1CX9 NHP 8.58209
184 2PZE ATP 8.73362
185 6A0S NDP 8.73494
186 6A0S HSE 8.73494
187 5WDR GNP 8.77193
188 4ZOH FAD 8.92857
189 1MJH ATP 9.25926
190 4Z87 5GP 9.33333
191 5GVR LMR 9.40171
192 4JWJ SAH 9.40594
193 5K9B FMN 9.44444
194 5VNB ALA THR ALY ALA ALA ARG ALY SER ALA PRO 9.45946
195 4R2I ANP 9.52381
196 2FCR FMN 10.4046
197 3EEL 53T 10.5727
198 1IBR GNP 11.039
199 4WOH 4NP 11.4458
200 3F6R FMN 11.4865
201 5JVB 2PO 11.7857
202 5D85 P1T 11.9632
203 4P83 U5P 12.0879
204 3RGQ 5P5 12.1795
205 4OXX FMN 12.3457
206 4F8L AES 12.4138
207 2F5Z FAD 12.4473
208 5ODQ FAD 12.7148
209 4HEQ FMN 13.0137
210 1J0D 5PA 13.1965
211 2UUU PL3 13.8122
212 2UUU FAD 13.8122
213 3A8U PLP 14.2539
214 1CS4 GSP 15.1111
215 4P86 5GP 15.3005
216 2JGV ADP 16.0606
217 1T3Q FAD 16.0714
218 3F81 STT 16.3934
219 5C2N NAG 16.6667
220 3HGM ATP 17.0068
221 1AKV FMN 18.3673
222 6GAQ FMN 21.4286
223 1WQ1 AF3 28.9157
Pocket No.: 2; Query (leader) PDB : 4IP7; Ligand: FBP; Similar sites found with APoc: 27
This union binding pocket(no: 2) in the query (biounit: 4ip7.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3ICR FAD 1.10497
2 3ICS FAD 1.10497
3 3EYA TDP 1.65746
4 1H82 GZZ 1.69492
5 1FUR MLT 2.35546
6 5C9P FUC 2.3622
7 4JAL SAH 2.99401
8 2HIM ASN 3.35196
9 1GVF PGH 3.84615
10 3ZZH NLG 4.23453
11 4UCI ADN 4.57831
12 4Y4V DAL 4.71976
13 5ECP JAA 4.93274
14 4GO7 THR 5
15 6ACS CIT 5.03876
16 5NM7 GLY 5.26316
17 3AB1 FAD 5.83333
18 5EB4 FAD 6.20301
19 5J6Y BGC 6.38298
20 5J6Y GLC 6.38298
21 2WR9 MAN MAN 7.03125
22 2BNF UTP 7.46888
23 1XX6 ADP 7.8534
24 3MYZ TFX 9
25 4USI AKG 9.09091
26 1HE1 AF3 9.62963
27 3RNM FAD 12.5253
Pocket No.: 3; Query (leader) PDB : 4IP7; Ligand: FLC; Similar sites found with APoc: 175
This union binding pocket(no: 3) in the query (biounit: 4ip7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3O0Q ADN 1.10497
2 3O0Q GDP 1.10497
3 3O0Q TTP 1.10497
4 6FCX FAD 1.10497
5 3CV2 OXL 1.12782
6 2GPT TLA 1.14723
7 2Q8Z NUP 1.16959
8 1P7T PYR 1.28913
9 4ZCW 4NG 1.36364
10 4O8A FAD 1.4733
11 1TIW FAD 1.4733
12 1TIW TFB 1.4733
13 1JQN DCO 1.4733
14 3EPO MP5 1.4733
15 1XPK HMG 1.54639
16 3TLC 7MD 1.61725
17 5LI1 ANP 1.69492
18 4CCO OGA 1.71306
19 3T7V MD0 1.71429
20 2IV3 UDP 1.75439
21 3C56 PH4 1.9544
22 2WSI FAD 1.96078
23 5AAV GW5 1.98413
24 5ULJ 0WD 1.99501
25 4B2Z P5S 2.00893
26 3MJY IJZ 2.02312
27 3MJY FMN 2.02312
28 5XGX DAS DLY 2.02532
29 6C6O ENG 2.02578
30 6CLV 6MB 2.06186
31 1DBT U5P 2.09205
32 2G37 FAD 2.14067
33 5DMZ ADP 2.19178
34 4NMC 2OP 2.20994
35 4NMC FAD 2.20994
36 5UFC DR2 2.20994
37 3E5A VX6 2.23881
38 1DQX BMP 2.24719
39 2FLI DX5 2.27273
40 3TTI KBI 2.37069
41 3HAZ FAD 2.39411
42 5M42 FMN 2.50896
43 5X1M THG 2.53165
44 5X1M DHB 2.53165
45 3CY2 MB9 2.54777
46 4H6Q FAD 2.5641
47 4H6Q TFB 2.5641
48 1VBH PEP 2.57827
49 1OX5 1PR 2.57827
50 3ZOA ACR 2.57827
51 3G6K POP 2.5974
52 3G6K FAD 2.5974
53 5X9D 80F 2.63158
54 4OTH DRN 2.6393
55 3W54 RNB 2.73556
56 3RS8 APR 2.78884
57 1IA9 ANP 2.85714
58 3OIX FMN 2.89855
59 1W5T ANP 2.91262
60 1W5T ADP 2.91262
61 6C4A PYR 2.94118
62 1O68 KIV 2.94659
63 5XJ7 87O 2.98507
64 4QIJ 1HA 2.99401
65 1R6W 164 3.10559
66 4I42 1HA 3.15789
67 1AJ0 PH2 3.19149
68 1AJ0 SAN 3.19149
69 1EBG PAH 3.21101
70 2AL2 2PG 3.21101
71 4H8N NDP 3.22581
72 3WG6 NDP 3.25733
73 1UU1 PMP HSA 3.28358
74 3EBL GA4 3.28767
75 6CMJ F6J 3.42679
76 2D4V NAD 3.4965
77 4UBT 3G6 3.50877
78 3CQD ATP 3.55987
79 3BLI PYR 3.56083
80 5T79 NDP 3.61446
81 3EXS 5RP 3.61991
82 2HSA FMN 3.73134
83 4O12 2QG 3.79242
84 1U08 PLP 3.88601
85 2D3M COA 3.94089
86 4IX4 ADP 4
87 1KC7 PPR 4.05157
88 4A2A ATP 4.05728
89 2QJN KDG 4.47761
90 6AIX A3P 4.49735
91 4R5M NAP 4.52128
92 1P9B GDP 4.52489
93 5WX3 COA 4.54545
94 1O5Q PYR 4.59016
95 4L9Z COA 4.71976
96 4L9Z OXL 4.71976
97 2X1L ADN 4.77099
98 1FFU CDP 4.90798
99 1GQ2 NAP 4.97238
100 3AWJ COA 4.97512
101 5UCD NAP 5.03282
102 4D52 GIV 5.07937
103 4D52 GXL 5.07937
104 4L80 OXL 5.17241
105 4NDO ATP 5.18518
106 2FFC U5P 5.38244
107 3WCA FPS 5.47945
108 2GQS C2R 5.48523
109 5BVE 4VG 5.54017
110 1WUB OTP 5.61798
111 2GEK GDP 5.66502
112 1J3I NDP 5.71429
113 1EE0 CAA 5.72139
114 4A3R CIT 5.81395
115 4WB7 ATP 5.92593
116 1U1W 3HA 6.04027
117 1KBI FMN 6.06654
118 5F8F SFG 6.1008
119 1C9K 5GP 6.11111
120 1IZC PYR 6.19469
121 3DJF BC3 6.27178
122 4R2M ANP 6.32911
123 3H22 B53 6.39731
124 5W8Q BU4 6.41026
125 1EYE PMM 6.42857
126 4MOP 2H5 6.44567
127 1LBF 137 6.47773
128 2XZ9 PYR 6.48148
129 1Q6O LG6 6.48148
130 2AK3 AMP 6.63717
131 5KF6 TFB 6.814
132 5KF6 FAD 6.814
133 5CSD ACD 6.91824
134 2NSJ C2R 7.10059
135 6FNU FAD 7.14286
136 2NP9 YE1 7.5
137 4C5N PXL 7.6087
138 4HKP TKW 7.69231
139 4HKP 16B 7.69231
140 1XG4 ICT 7.79661
141 1LOR BMP 7.89474
142 3APT FAD 8.06452
143 5XQW 8EU 8.29493
144 3C3N FMN 8.33333
145 2V5K OXM 8.36237
146 5YSQ INS 8.39161
147 1UJP CIT 8.48709
148 3MI2 PFU 8.60215
149 3EWC MCF 8.62534
150 2QCD U5P 9.23077
151 4B5W PYR 9.375
152 1X1Z BMP 9.52381
153 4OIC A8S 9.66184
154 4IDT T28 10.1124
155 1EIX BMQ 11.0204
156 5MZY 8EZ 11.3208
157 1ERB ETR 11.4754
158 1UNH IXM 12.0192
159 1OFZ FUL 12.5
160 1OVD ORO 12.5402
161 1OVD FMN 12.5402
162 1Y0G 8PP 12.5654
163 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 12.6697
164 5ODQ FAD 12.7148
165 4WNP 3RJ 12.892
166 3LF0 ATP 13.1579
167 1SJD NPG 13.587
168 2RKN LP3 15.5844
169 4BJ8 BTN 17.4603
170 1M5W DXP 18.5185
171 1V3S ATP 19.8276
172 2VWT PYR 22.4719
173 3KOX Z98 23.1405
174 5UKL SIX 24.1935
175 2J9D ADP 28.5714
Pocket No.: 4; Query (leader) PDB : 4IP7; Ligand: FLC; Similar sites found with APoc: 56
This union binding pocket(no: 4) in the query (biounit: 4ip7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZW2 NAG GAL FUC None
2 3ZW2 GAL FUC None
3 1V8B NAD 1.25261
4 1YNQ NDP 1.26183
5 3WCZ NAP 1.62338
6 4XB2 NDP 1.79104
7 5O9X G16 1.84162
8 2VK4 TPP 1.84162
9 5ICE SAH 2.27273
10 2Q7D ANP 2.31214
11 3DG6 MUC 2.45232
12 5ABH YWN 2.57827
13 2P8B NSK 2.71003
14 1B09 PC 2.91262
15 4ZS4 ATP 2.9316
16 4S3F 43W 2.95567
17 5XJ8 NKO 2.98507
18 1SOW OXL 3.04878
19 2R14 TXD 3.18302
20 3RI1 3RH 3.19489
21 2C91 NAP 3.25444
22 3PDT ADP 3.27273
23 2IGA XX3 3.28767
24 5O3Q CMP 3.33333
25 6BXO SAH 3.36391
26 5GXU FAD 3.49908
27 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 3.65297
28 1LQA NDP 3.75723
29 2HJR CIT 3.96341
30 1Q3Q ANP 4.05157
31 1RM6 PCD 4.34783
32 1TKK ALA GLU 4.64481
33 3DR4 G4M 4.85933
34 4EWH T77 5.09091
35 2Q3O FMN 5.11509
36 1V59 FAD 5.23013
37 5EFQ ADP 5.4755
38 4S28 AIR 5.89319
39 4S28 SAH 5.89319
40 5AZ1 NDP 5.94901
41 3VPB ADP 6.38298
42 1DQS NAD 7.37913
43 4L3L 5FI 7.56579
44 5LMK 6ZK 7.75194
45 3CF6 SP1 7.78443
46 3RUV ANP 7.91897
47 4R3U 3KK 8.22785
48 4R3U 3HC 8.22785
49 4WT2 3UD 10.4762
50 3N3T C2E 10.8844
51 3D3W NAP 11.4754
52 5KY3 GFB 12.5
53 4IJR NDP 14.8256
54 5IXG OTP 16.568
55 3O0G 3O0 16.7785
56 3R35 4CO 18.543
Pocket No.: 5; Query (leader) PDB : 4IP7; Ligand: FBP; Similar sites found with APoc: 29
This union binding pocket(no: 5) in the query (biounit: 4ip7.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3FG2 FAD 1.23762
2 3GVL SLB SIA 1.28913
3 3N9R TD3 1.9544
4 2WPF FAD 2.0202
5 3RC3 ANP 2.20994
6 3GD4 FAD 3.7182
7 6FLZ MMA 4.16667
8 4NTC FAD 4.1791
9 3M1I GTP 4.18848
10 5GSN FAD 4.63576
11 3CX8 GSP 4.92611
12 5ECP MET 4.93274
13 3LZW FAD 5.12048
14 2GVC FAD 5.14541
15 3KIH GDL 5.15464
16 4YGM URA 5.17241
17 5O2N FLC 5.52486
18 3FXU TSU 5.57377
19 6DEF GCP 5.88235
20 1MH1 GNP 5.91398
21 4GNC ASO 6.02007
22 4MOP 2H5 6.44567
23 5LKC FUC GLA A2G 6.49351
24 5BSH PRO 6.4982
25 5DI9 GNP 7.69231
26 1XXA ARG 7.69231
27 4HAT GNP 7.85714
28 1O94 ADP 11.3636
29 5O2T GSP 15.3846
Pocket No.: 6; Query (leader) PDB : 4IP7; Ligand: FBP; Similar sites found with APoc: 17
This union binding pocket(no: 6) in the query (biounit: 4ip7.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1Q1R FAD 1.39211
2 4MDH NAD 2.09581
3 6F3M NAD 3.26087
4 5M67 3D1 3.34029
5 5M67 NAD 3.34029
6 1VL1 CIT 3.44828
7 1ZGS XMM 3.80313
8 3KLJ FAD 4.15584
9 1W8S FBP 4.18251
10 2ZIF SAM 4.7138
11 1FFU FAD 4.90798
12 2CUL FAD 6.89655
13 1E6E FAD 7.03125
14 3HRD FAD 9.69697
15 4LI4 AMP 11.0294
16 1NB9 ADP 15.6463
17 1NB9 RBF 15.6463
Pocket No.: 7; Query (leader) PDB : 4IP7; Ligand: FLC; Similar sites found with APoc: 33
This union binding pocket(no: 7) in the query (biounit: 4ip7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1IGW PYR 1.84332
2 1VEM GLC GLC 1.93798
3 4WNK 453 2.02578
4 2BMB PMM 2.20994
5 4IDC 1XX 2.40964
6 4IDC NDP 2.40964
7 3H78 BE2 2.50696
8 9ABP GAL 2.61438
9 9ABP GLA 2.61438
10 2IRY DGT 2.64026
11 1XAJ NAD 2.82486
12 1XAJ CRB 2.82486
13 4WB6 ATP 2.85714
14 3UXL CFI 2.87206
15 4MIG G3F 2.94659
16 2WU6 DKI 3.14961
17 5KZD RCJ 3.75427
18 4GA6 AMP 3.89864
19 1F0X FAD 4.05157
20 4R5M 4NO 4.52128
21 5HES 032 4.56026
22 4AVV CD 4.90196
23 1PVN MZP 5.58511
24 5A89 ADP 5.76923
25 5A89 FMN 5.76923
26 2HFN FMN 5.88235
27 1KBI PYR 6.06654
28 2WQP WQP 6.87679
29 5F3I 5UJ 8.61111
30 1RBL CAP 11.9266
31 2IYG FMN 12.0968
32 1MH5 HAL 12.6087
33 6BKK 308 33.3333
Pocket No.: 8; Query (leader) PDB : 4IP7; Ligand: FLC; Similar sites found with APoc: 28
This union binding pocket(no: 8) in the query (biounit: 4ip7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2JLD AG1 1.42857
2 3WCZ CIT 1.62338
3 3B8X G4M 2.05128
4 1XJD STU 2.6087
5 5USZ SKE 2.76817
6 1UKZ ADP 2.95567
7 1YQZ FAD 2.96804
8 2PTZ PAH 3.00926
9 1REQ DCA 3.13075
10 2AL2 PEP 3.21101
11 1G51 AMO 3.31492
12 6CAY ERG 3.5503
13 3ZS7 ATP 3.66667
14 3TXO 07U 3.68272
15 2REG CHT 3.69128
16 5W11 CTR 4.09091
17 2EB5 OXL 4.11985
18 5XET ME8 5.48204
19 3NZ1 3NY 5.74713
20 1GR0 NAD 6.53951
21 3E85 BSU 7.59494
22 2C1X UDP 7.89474
23 4TUO SIA GAL SIA GLC NGA 8.41121
24 1NJR XYL 8.80282
25 5K2M ADP 13.2075
26 2HKA C3S 15.3846
27 3FHI ANP 18.8312
28 2J9C ATP 28.5714
Pocket No.: 9; Query (leader) PDB : 4IP7; 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: 9) in the query (biounit: 4ip7.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback