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Receptor
PDB id Resolution Class Description Source Keywords
1P7T 1.95 Å EC: 2.3.3.9 STRUCTURE OF ESCHERICHIA COLI MALATE SYNTHASE G:PYRUVATE:ACE COENZYME A ABORTIVE TERNARY COMPLEX AT 1.95 ANGSTROM RESOLU ESCHERICHIA COLI STR. K12 SUBSTR. TIM BARREL GLYOXYLATE CYCLE ACETYL-COA CYSTEINE-SULFENIC LYASE
Ref.: STRUCTURE OF THE ESCHERICHIA COLI MALATE SYNTHASE G:PYRUVATE:ACETYL-COENZYME A ABORTIVE TERNARY COMPL 1.95 ANGSTROM RESOLUTION PROTEIN SCI. V. 12 1822 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:800;
B:900;
Valid;
Valid;
none;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
MG A:1000;
B:1001;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PEG A:1001;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
PG4 B:1002;
B:1003;
Invalid;
Invalid;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
PYR A:810;
B:910;
Valid;
Valid;
none;
none;
Ki = 1 mM
88.062 C3 H4 O3 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P7T 1.95 Å EC: 2.3.3.9 STRUCTURE OF ESCHERICHIA COLI MALATE SYNTHASE G:PYRUVATE:ACE COENZYME A ABORTIVE TERNARY COMPLEX AT 1.95 ANGSTROM RESOLU ESCHERICHIA COLI STR. K12 SUBSTR. TIM BARREL GLYOXYLATE CYCLE ACETYL-COA CYSTEINE-SULFENIC LYASE
Ref.: STRUCTURE OF THE ESCHERICHIA COLI MALATE SYNTHASE G:PYRUVATE:ACETYL-COENZYME A ABORTIVE TERNARY COMPL 1.95 ANGSTROM RESOLUTION PROTEIN SCI. V. 12 1822 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1P7T Ki = 1 mM PYR C3 H4 O3 CC(=O)C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1P7T Ki = 1 mM PYR C3 H4 O3 CC(=O)C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1P7T Ki = 1 mM PYR C3 H4 O3 CC(=O)C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACO; Similar ligands found: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 CAO 0.898305 0.934066
4 COS 0.898305 0.944444
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 CO6 0.885246 0.988636
9 1VU 0.885246 0.977528
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 MLC 0.870968 0.966292
13 BCO 0.870968 0.966292
14 1HE 0.870968 0.966667
15 3HC 0.870968 0.977273
16 IVC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 MCA 0.864 0.977528
19 COO 0.864 0.966292
20 COK 0.861789 0.944444
21 COA 0.857143 0.965909
22 SCA 0.857143 0.966292
23 0T1 0.857143 0.94382
24 DCA 0.855932 0.94382
25 CMC 0.854839 0.944444
26 30N 0.85124 0.885417
27 HGG 0.850394 0.966292
28 BYC 0.850394 0.966292
29 COW 0.850394 0.955556
30 IRC 0.850394 0.977273
31 1GZ 0.850394 0.955556
32 BCA 0.84375 0.955556
33 FAQ 0.84375 0.966292
34 2CP 0.84252 0.955556
35 A1S 0.84127 0.966292
36 ETB 0.840336 0.932584
37 GRA 0.837209 0.966292
38 HXC 0.837209 0.988764
39 AMX 0.836066 0.954545
40 TGC 0.830769 0.955556
41 SCO 0.829268 0.94382
42 CMX 0.829268 0.94382
43 2NE 0.824427 0.945055
44 1CZ 0.824427 0.955556
45 CO8 0.824427 0.988764
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 COF 0.821705 0.923913
49 3CP 0.821705 0.944444
50 2KQ 0.821705 0.988764
51 MYA 0.818182 0.988764
52 ST9 0.818182 0.988764
53 UCC 0.818182 0.988764
54 DCC 0.818182 0.988764
55 MFK 0.818182 0.988764
56 5F9 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 7L1 0.814516 1
60 WCA 0.80597 0.945055
61 CS8 0.80597 0.977778
62 SCD 0.804688 0.94382
63 MCD 0.80315 0.966292
64 CA6 0.80315 0.896907
65 HDC 0.8 0.988764
66 4KX 0.8 0.934783
67 CIC 0.796992 0.944444
68 NMX 0.796875 0.875
69 MRR 0.794118 0.988764
70 MRS 0.794118 0.988764
71 4CO 0.791045 0.934066
72 0FQ 0.791045 0.944444
73 CAJ 0.790698 0.944444
74 YNC 0.788321 0.955556
75 DAK 0.788321 0.934783
76 0ET 0.785185 0.966667
77 01A 0.785185 0.904255
78 8Z2 0.782609 0.977778
79 HFQ 0.781022 0.923913
80 1CV 0.779412 0.966292
81 YE1 0.778626 0.933333
82 NHM 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 NHW 0.773723 0.966667
85 CA8 0.766917 0.877551
86 F8G 0.762238 0.946237
87 1HA 0.760563 0.945055
88 NHQ 0.746479 0.955056
89 S0N 0.744526 0.923077
90 CCQ 0.744526 0.945652
91 01K 0.743056 0.966292
92 COT 0.737931 0.944444
93 CA3 0.727891 0.944444
94 UCA 0.721854 0.988764
95 CO7 0.713235 0.966292
96 CA5 0.703947 0.904255
97 93P 0.699346 0.934066
98 COD 0.692913 0.954545
99 93M 0.666667 0.934066
100 4BN 0.656627 0.946237
101 5TW 0.656627 0.946237
102 OXT 0.634731 0.946237
103 HMG 0.62585 0.933333
104 PLM COA 0.61745 0.955556
105 COA PLM 0.61745 0.955556
106 JBT 0.609195 0.926316
107 BSJ 0.594118 0.913979
108 PAP 0.577586 0.784091
109 ASP ASP ASP ILE CMC NH2 0.557576 0.902174
110 PPS 0.53719 0.729167
111 191 0.532895 0.877551
112 RFC 0.53125 0.966667
113 SFC 0.53125 0.966667
114 A3P 0.525862 0.772727
115 ACE SER ASP ALY THR NH2 COA 0.511111 0.923077
116 0WD 0.503497 0.763441
117 PTJ 0.462687 0.842697
118 3AM 0.461538 0.761364
119 3OD 0.451852 0.797753
120 A22 0.450382 0.786517
121 PUA 0.447368 0.793478
122 A2D 0.446281 0.775281
123 PAJ 0.443609 0.853933
124 SAP 0.440945 0.8
125 ATR 0.440945 0.772727
126 AGS 0.440945 0.8
127 OAD 0.437037 0.797753
128 ADP 0.435484 0.795455
129 A2R 0.431818 0.786517
130 BA3 0.427419 0.775281
131 NA7 0.426471 0.829545
132 9X8 0.426471 0.8
133 HEJ 0.425197 0.795455
134 ATP 0.425197 0.795455
135 B4P 0.424 0.775281
136 AP5 0.424 0.775281
137 ADQ 0.422222 0.777778
138 AQP 0.421875 0.795455
139 AR6 0.421875 0.775281
140 5FA 0.421875 0.795455
141 2A5 0.421875 0.818182
142 APR 0.421875 0.775281
143 48N 0.42069 0.802198
144 AN2 0.420635 0.786517
145 FYA 0.42029 0.786517
146 M33 0.417323 0.786517
147 SRP 0.413534 0.808989
148 ANP 0.412214 0.777778
149 YLB 0.412162 0.877778
150 FA5 0.411348 0.788889
151 YLP 0.410959 0.877778
152 ME8 0.410072 0.835165
153 AT4 0.409449 0.808989
154 APU 0.409396 0.76087
155 5AL 0.409091 0.786517
156 7D3 0.408 0.766667
157 F2R 0.407895 0.836957
158 NJP 0.407895 0.78022
159 AD9 0.407692 0.777778
160 25L 0.407143 0.786517
161 7D4 0.40625 0.766667
162 CA0 0.40625 0.777778
163 ATF 0.406015 0.769231
164 A A A 0.405797 0.786517
165 A2P 0.404762 0.761364
166 9ZA 0.404412 0.791209
167 8QN 0.404412 0.786517
168 9ZD 0.404412 0.791209
169 LAQ 0.40411 0.815217
170 NDP 0.403974 0.763441
171 ACP 0.403101 0.797753
172 ACQ 0.401515 0.797753
173 YAP 0.401408 0.78022
174 ATP A A A 0.401408 0.744444
175 TXA 0.4 0.788889
176 NB8 0.4 0.782609
177 PAX 0.4 0.768421
178 1ZZ 0.4 0.855556
Ligand no: 2; Ligand: PYR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 F50 0.428571 0.6
5 2KT 0.411765 0.733333
6 AAE 0.411765 0.625
7 KIV 0.411765 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P7T; Ligand: PYR; Similar sites found with APoc: 369
This union binding pocket(no: 1) in the query (biounit: 1p7t.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5ABF XRJ 0.688705
2 5ABH YWN 0.688705
3 2CHN NGT 0.698324
4 4DG8 AMP 0.967742
5 1Q19 APC 0.994036
6 4KGD TDP 1.16086
7 4KGD FAD 1.16086
8 4IP7 FLC 1.28913
9 4FRZ ADP 1.29534
10 4DP3 NDP 1.31579
11 4DP3 MMV 1.31579
12 2CDC XYS 1.36612
13 2CDC XYP 1.36612
14 2CDC NAP 1.36612
15 1EU1 MGD 1.36799
16 4AF0 IMP 1.43885
17 5AHM IMP 1.5
18 4PJ3 ANP 1.50479
19 4GID 0GH 1.54639
20 2Q1S NAI 1.59151
21 2VVL FAD 1.61616
22 2ABJ CBC 1.63934
23 4ZG4 VO4 ADP 1.64159
24 2X7J TPP 1.65563
25 4P53 NAI 1.66667
26 3ICT ADP 1.70068
27 4YWV SSN 1.72043
28 2CH5 NDG 1.72911
29 1C7O PPG 1.75439
30 4R43 GDP 1.75719
31 4CFP NAG AMU NAG AMV 1.75953
32 3UXL CFI 1.82768
33 5XDR ADP 1.88406
34 2G50 PYR 1.88679
35 4PFO ADP 1.91518
36 2XAU ADP 1.91518
37 2ZPA ADP 1.93741
38 1XAJ CRB 1.9774
39 1XAJ NAD 1.9774
40 3OZV FAD 1.98511
41 5EK3 5PK 1.98511
42 3AWJ COA 1.99005
43 3NV6 CAM 1.99115
44 1VBH PEP 2.05198
45 5F5N NAD 2.07612
46 4R1S NAP 2.07715
47 4Z87 5GP 2.09524
48 3ZOK NAD 2.1164
49 5DK4 ATP 2.12766
50 5DK4 5BX 2.12766
51 5BSH PRO 2.16606
52 5I0H ADP BEF 2.18878
53 1D2N ANP 2.20588
54 5NM7 GLY 2.25564
55 6FAA ADP 2.29008
56 1ORR NAD 2.30548
57 4UTG ANP 2.31214
58 3COW 52H 2.32558
59 3CRZ NAP 2.33463
60 3CRZ FAD 2.33463
61 2ZE7 DST 2.37154
62 2ZE7 AMP 2.37154
63 4AVB CMP 2.4024
64 1J3I NDP 2.43902
65 5IKI A9H 2.43902
66 1J3I WRA 2.43902
67 2ZFI ADP 2.45902
68 1JQN DCO 2.46238
69 2D3M COA 2.46305
70 1HG4 LPP 2.50896
71 2A2C NG1 2.51046
72 2A2C ADP 2.51046
73 1Z6T ADP 2.53807
74 2C6Q IMP 2.5641
75 2C6Q NDP 2.5641
76 1KC7 PPR 2.59918
77 2J3M ATP 2.62238
78 2J3M PRI 2.62238
79 5X9D 80F 2.63158
80 3HBF UDP 2.64317
81 3HBF MYC 2.64317
82 4IEE AGS 2.65306
83 4Z0G 5GP 2.66344
84 1DAK ADP 2.67857
85 1DAK DPU 2.67857
86 3HWW AKG 2.69784
87 5TPR NAD 2.7027
88 5TOW ADN 2.7027
89 5TOW NAI 2.7027
90 3H4L ANP 2.7248
91 1F74 NAY 2.73038
92 1GQY ACP 2.73684
93 1P3D ANP 2.73684
94 1CSI CMX 2.75862
95 1CSI OAA 2.75862
96 5KSZ GCP 2.83019
97 2AG5 NAD 2.84553
98 2Q4H AMP 2.849
99 3DKP ADP 2.85714
100 2VVG ADP 2.85714
101 4H8N NDP 2.87278
102 1LVK MNT BEF 2.87278
103 1MZC FPP 2.87958
104 1MZC BNE 2.87958
105 1IXE COA 2.91777
106 4RGQ 1GP 2.98913
107 4RGQ NDP 2.98913
108 4RGQ 13P 2.98913
109 4ZKD GDP 3.00601
110 2VHJ ADP 3.02115
111 2WN6 NDP 3.02376
112 1PIG AGL GLC HMC AGL GLC BGC 3.02419
113 1XHL NDP 3.0303
114 5GM1 SAH 3.0303
115 5D63 FUC GAL GLA 3.07167
116 1J99 AND 3.07167
117 5V2J 7WV 3.11804
118 5V2J UDP 3.11804
119 6B2M COA 3.14685
120 5AAV GW5 3.1746
121 1WUR 8DG 3.18182
122 2VOH CIT 3.18471
123 5FOE GDP 3.2
124 6H5E ANP 3.20366
125 5ZEC NAP 3.21637
126 4X7R NTO 3.24544
127 5YSE BGC BGC BGC GLC 3.27456
128 5ZXD ATP 3.28317
129 1C9K 5GP 3.33333
130 5J5R IMP 3.3419
131 5J5R 6G1 3.3419
132 2X6T NAP 3.36134
133 3G5N PB2 3.36134
134 3RK1 ATP 3.37553
135 4NTO 1PW 3.38164
136 5EYG NAP 3.39623
137 5KZD RCJ 3.41297
138 4OJ8 AKG 3.41297
139 2B3D FAD 3.43137
140 3UWV 2PG 3.44828
141 2ACV UDP 3.45572
142 5XJ8 NKO 3.48259
143 4KCF AKM 3.52423
144 2GZ3 NAP 3.55191
145 3G6K FAD 3.57143
146 3G6K POP 3.57143
147 5WS9 ATP 3.57895
148 5WS9 OXL 3.57895
149 4IDC NDP 3.61446
150 4IDC 1XX 3.61446
151 6BK3 UDP 3.64026
152 1U3G THF 3.7037
153 1FWV SGA MAG FUC 3.73134
154 1XNG ATP 3.73134
155 5M67 3D1 3.75783
156 5M67 ADE 3.75783
157 5M67 NAD 3.75783
158 4CJX NAP 3.76176
159 6FYZ EBE 3.79747
160 2GRU NAD 3.80435
161 4U31 MVP 3.80674
162 1I52 CTP 3.81356
163 1YRB GDP 3.81679
164 1NXJ TLA 3.82514
165 4KBF AMP 3.83562
166 5W8Q BU4 3.84615
167 5OJ7 AR6 3.84615
168 1EQ2 NAP 3.87097
169 3GD4 NAD 3.91389
170 1XKQ NDP 3.92857
171 1PJS NAD 3.93873
172 1NJF ADP 4
173 3FIU POP 4.01606
174 4L80 OXL 4.02299
175 5IUW IAC 4.02414
176 4KVL PLM 4.02576
177 2VB6 ADP BEF 4.02685
178 2R5N TPP 4.10397
179 2R5N RP5 4.10397
180 1S3G AP5 4.14747
181 1V8B NAD 4.17537
182 5UR1 YY9 4.18006
183 3IX9 NDP 4.21053
184 2OWZ F6P 4.21687
185 2PL3 ADP 4.23729
186 4EDK GTP 4.25532
187 3E9I XAH 4.25963
188 4FBL SPD 4.27046
189 2I4I AMP 4.31655
190 3SHR CMP 4.34783
191 1WD4 AHR 4.35685
192 2Q8Z NUP 4.38596
193 3BFX A3P 4.39189
194 3HQP OXL 4.40882
195 5A04 BGC 4.42478
196 5A04 NDP 4.42478
197 4RIF 3R2 4.48549
198 3LZW NAP 4.51807
199 3LZW FAD 4.51807
200 1A8R GTP 4.52489
201 5HI5 63Q 4.54545
202 5YVR NDP 4.64548
203 2X06 NAD 4.65116
204 2X05 X05 4.65116
205 5KJZ PCG 4.66667
206 1ZFJ IMP 4.68432
207 1IZC PYR 4.71976
208 1EE0 CAA 4.72637
209 1H74 ILE 4.72973
210 5K8C NAD 4.7486
211 3LRE ADP 4.78873
212 5WX3 COA 4.79798
213 3SIX GDP 4.84848
214 4I5I NAD 4.87805
215 3EB9 FLC 4.88722
216 4WOP CTP 4.88889
217 1OJ7 NZQ 4.90196
218 1BG2 ADP 4.92308
219 4WAS NAP 4.94506
220 5VN0 NAI 5.01931
221 1YKJ FAD 5.07614
222 1YKJ PHB 5.07614
223 5YSS NAD 5.07812
224 2FAH GDP 5.09868
225 1JQ5 NAD 5.13514
226 2VWT PYR 5.24345
227 3RO7 TDR 5.28302
228 2WZM NA7 5.30035
229 2CDU ADP 5.30973
230 3WXM GTP 5.31915
231 4L9Z COA 5.33516
232 4L9Z OXL 5.33516
233 3CF6 SP1 5.38922
234 4KCT PYR 5.41082
235 4B5W PYR 5.47196
236 4U7W NDP 5.47619
237 1PS6 4TP 5.4878
238 2V5K OXM 5.60876
239 4MUV PCG 5.6338
240 3B7G ANP 5.65217
241 4IWN GEK 5.67686
242 4DCT GDP 5.70175
243 1RVV INI 5.84416
244 3H4S ADP 5.92593
245 1W7J ADP BEF 5.96026
246 1P72 ADP 5.98802
247 5N69 ADP 6.03015
248 4X6I 3Y1 6.04651
249 5LW0 AR6 6.06061
250 1I36 NAP 6.06061
251 2R42 FPS 6.07595
252 2WKW W22 6.09756
253 1DQS NAD 6.10687
254 1DQS CRB 6.10687
255 3DFR NDP 6.17284
256 4N82 FMN 6.17978
257 3VZS CAA 6.22568
258 2ZJ1 ARJ 6.26263
259 2ZJ1 NAD 6.26263
260 2QZS ADP 6.39175
261 2QZS GLC 6.39175
262 2QZS 250 6.39175
263 4MXP DB4 6.40244
264 2B99 RDL 6.41026
265 2NCD ADP 6.42857
266 1JGT CMA 6.43275
267 5HMY LNY 6.45669
268 3JUC PCA 6.53595
269 2EXX NAP 6.53595
270 5K4W THR 6.54206
271 2C49 ADN 6.62252
272 4IXH IMP 6.6482
273 4HI0 GDP 6.69291
274 3VMF GTP 6.70241
275 4KQ6 DLZ 6.70391
276 2PID YSA 6.74157
277 2NUN ADP 6.81115
278 4M52 M52 6.86695
279 2C94 TSF 6.875
280 2OQ2 A3P 6.89655
281 1X9I G6Q 6.95364
282 3RT4 LP5 7.01754
283 1NE6 SP1 7.06714
284 4ZEV M6P 7.09459
285 4OCJ NDG 7.12401
286 3S5W FAD 7.12743
287 1EJB INJ 7.14286
288 3KRL KRL 7.16418
289 6F3N ADN 7.20339
290 6F3N NAD 7.20339
291 1NE7 AGP 7.26644
292 1OIV GDP 7.32984
293 4MP8 MLI 7.37463
294 4MP8 NAD 7.37463
295 6F3M NAD 7.3913
296 1KOR SIN 7.5
297 1KYV RBF 7.54717
298 3RWO GDP 7.56757
299 2HMT NAI 7.63889
300 1GXU 2HP 7.69231
301 1PVN MZP 7.71277
302 1SAY PYR 7.75623
303 5JCZ GDP 7.82123
304 3IUY AMP 7.89474
305 4LX0 BEF GDP 7.9096
306 1Z0A GDP 8.04598
307 5MEX SZZ 8.07453
308 5MEX PAP 8.07453
309 4C4P GNP 8.09249
310 2PZ8 APC 8.09859
311 3W54 RNB 8.20669
312 5VYR GMP 8.42912
313 5VYR B62 8.42912
314 1ITZ TPP 8.59259
315 2GWH A3P 8.72483
316 3UYK 0CX 8.78553
317 4NG2 OHN 8.84956
318 5J3R GSH 8.86699
319 2F59 INI 8.9172
320 5KSP GDP 8.94737
321 2XZ9 PYR 8.95062
322 2GJ3 FAD 9.16667
323 3L4S NAD 9.22619
324 3L4S 3PG 9.22619
325 2Y65 ADP 9.31507
326 5ZBR ANP 9.33333
327 3OF1 CMP 9.34959
328 5LTJ ADP 9.38375
329 5WPJ NDP 9.38967
330 5O74 GDP 9.44444
331 5O4J 9KH 9.48905
332 5O4J PJL 9.48905
333 5O4J SAH 9.48905
334 3IHZ FK5 9.52381
335 3QLM PLM 9.67742
336 4KXQ APR 10
337 4XDZ NDP 10.2041
338 3NOJ PYR 10.5042
339 1ZDU P3A 10.6122
340 2BEK ATP 10.8949
341 3G4Q MCH 10.9589
342 2BZG SAH 11.2069
343 5LWY OLB 11.215
344 1F9V ADP 11.2392
345 2RGX AP5 11.6505
346 1RRM APR 12.1762
347 1YRO GDU 12.1951
348 4W93 3L9 12.9032
349 1W7F ICT 13.0293
350 5LD5 NAD 13.4078
351 1H7F C5P 13.4694
352 4UP3 NDP 14.0127
353 4UP3 FAD 14.0127
354 5G3Y ADP 14.1593
355 1D1G NDP 14.2857
356 3WG6 NDP 14.3322
357 5E5U MLI 14.3939
358 3CPJ GDP 14.4124
359 2XVM SAH 14.5729
360 2ZTS ADP 14.741
361 1MJH ATP 15.4321
362 1X1Z BMP 15.4762
363 2KIN ADP 16.8067
364 1KO8 6PG 17.7143
365 1LOR BMP 18.4211
366 1B7T ADP 24.359
367 1KK8 BEF ADP 24.6753
368 2HV8 GTP 28.125
369 2D7C GTP 28.5714
Pocket No.: 2; Query (leader) PDB : 1P7T; Ligand: ACO; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 1p7t.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZED PNP 1.44628
2 4WOE ADP 1.53631
3 2ZUX RAM 2.36887
4 5LFV SIA GAL NAG 2.83912
5 4D52 GXL 2.85714
6 1VRP IOM 3.14961
7 5OKT 9XK 3.18471
8 1SGJ OAA 3.52113
9 4L80 1VU 4.02299
10 1U6R IOM 4.21053
11 1R6N 434 4.2654
12 3UB7 ACM 4.97238
13 4L9Z OXL 5.33516
14 4L9Z COA 5.33516
15 1INN MET 5.42169
16 5V4R MGT 5.55556
17 3UEC ALA ARG TPO LYS 6.16438
18 5VXC COA 6.46154
19 1GEG GLC 7.03125
20 1KQR MNA 8.37989
21 4RJD TFP 9.09091
22 2P3I MNA 9.31677
23 1HSR BHO 9.59302
24 1PVC ILE SER GLU VAL 10.2941
Pocket No.: 3; Query (leader) PDB : 1P7T; Ligand: ACO; Similar sites found with APoc: 31
This union binding pocket(no: 3) in the query (biounit: 1p7t.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2A9G ARG 2.15311
2 1WOG 16D 2.29508
3 4DD8 BAT 2.40385
4 5KJW 53C 2.57611
5 4YVN EBS 2.72904
6 3JQ3 ADP 3.00546
7 1DQN IMU 3.47826
8 2QGI UDP 3.62903
9 1G1T SIA GAL MAG FUC 3.82166
10 1YQC GLV 4.11765
11 5OPM DTP 4.1841
12 1U6R ADP 4.21053
13 4JGP PYR 4.60829
14 1WMA AB3 4.71014
15 4A91 GLU 5.03356
16 4P9Z NMI PTR 02K ASN NH2 5.12821
17 1Z6K OAA 5.46075
18 2Z3U CRR 5.88235
19 4A34 FUL 6.80272
20 3ALT MLB 7.00637
21 1NE7 16G 7.26644
22 1QKQ MAN 7.74648
23 1XE7 GUN 8.86699
24 5E65 5N6 GAL 9.03614
25 3GM5 CIT 9.43396
26 5E62 Z3Q GAL 5N6 10.0671
27 4KZV TRE 10.4478
28 4K30 NLG 10.625
29 3WUR O4B 11.1111
30 1O4T OXL 12.0301
31 1RJW ETF 13.5693
Pocket No.: 4; Query (leader) PDB : 1P7T; Ligand: PYR; Similar sites found with APoc: 61
This union binding pocket(no: 4) in the query (biounit: 1p7t.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2VVM FAD 1.61616
2 3OBK PBG 1.96629
3 2VHW NAI 2.12202
4 3EBL GA4 2.19178
5 1DLJ UGA 2.23881
6 1YB5 NAP 2.2792
7 5FJN BE2 2.41228
8 5FJN FAD 2.41228
9 4R0M FA5 2.48834
10 1WP4 NDP 2.76817
11 3NUB UD0 2.78552
12 5MSO NAP 3.14637
13 5TO8 7FM 3.19149
14 1DJN ADP 3.29218
15 1QZR CDX 3.34928
16 2Q46 NAP 3.55731
17 1E1O LYS 3.57143
18 1YNQ NDP 3.78549
19 2J5V PCA 3.81471
20 3SMA ACO 3.84615
21 1NJF AGS 4
22 1VP5 NAP 4.02685
23 5I60 67W 4.06504
24 3OND NAD 4.09836
25 3OND ADN 4.09836
26 1M9H NAD 4.31655
27 3MTW M3R 4.4665
28 2HSA FMN 4.47761
29 5A65 TPP 4.60829
30 3A23 GAL 4.72313
31 3GLC R5P 4.74576
32 1KOL NAD 4.77387
33 3O9Z AKG 4.80769
34 3O9Z NAD 4.80769
35 6GG9 FMN 4.93827
36 6HKE MLT 5.03145
37 5K5M 68T 5.03937
38 2ZIF SAM 5.05051
39 4LA7 A1O 5.18135
40 3B4Y F42 5.33708
41 4PVD NDP 5.55556
42 1PL6 NAD 5.61798
43 1ZGA HMK 5.88235
44 3VZS NAP 6.22568
45 1JGT APC 6.43275
46 5H68 AGS 6.47059
47 2JEN GLC GLC BGC XYS BGC XYS 6.89655
48 1KOR ANP 7.5
49 1KOR ARG 7.5
50 2CVQ NDP 7.95107
51 1SVM ATP 7.95756
52 3H22 B53 8.75421
53 1JIL 485 8.80952
54 1VLJ NAP 9.09091
55 3IA4 NDP 9.25926
56 1OT6 HC4 9.6
57 5D4V SAH 9.70149
58 3DLS ADP 11.0448
59 1H5T DAU 12.9693
60 6H39 FGY 22.619
61 2ZSH GA3 40.9091
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