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Receptor
PDB id Resolution Class Description Source Keywords
3R9G 1.35 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MICROCIN C7 SELF IMMUNITY ACETYLTRANSFE IN COMPLEX WITH COENZYME A AND PROCESSED MICROCIN C7 ANTIBI ESCHERICHIA COLI MICROCIN C7 ACETYLTRANSFERASE SELF IMMUNITY RESISTANCE ACOENZYME A TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURAL BASIS FOR MICROCIN C7 INACTIVATION BY TH ACETYLTRANSFERASE. J.BIOL.CHEM. V. 286 21295 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7MC A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
560.455 C19 H29 N8 O10 P CC(=O...
COA A:400;
B:400;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3R96 1.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MICROCIN C7 SELF IMMUNITY ACETYLTRANSFE IN COMPLEX WITH ACETYL-COA AND AMP ESCHERICHIA COLI MICROCIN C7 ACETYLTRANSFERASE SELF IMMUNITY RESISTANCE ACOENZYME A TRANSFERASE
Ref.: STRUCTURAL BASIS FOR MICROCIN C7 INACTIVATION BY TH ACETYLTRANSFERASE. J.BIOL.CHEM. V. 286 21295 2011
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3R95 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 3R9E - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3R9G - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3R9F - GSU C15 H21 N7 O9 S c1nc(c2c(n....
5 3R96 Kd = 1.03 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3R95 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 3R9E - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3R9G - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3R9F - GSU C15 H21 N7 O9 S c1nc(c2c(n....
5 3R96 Kd = 1.03 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 3R95 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 3R9E - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3R9G - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3R9F - GSU C15 H21 N7 O9 S c1nc(c2c(n....
5 3R96 Kd = 1.03 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1S7N - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7MC; Similar ligands found: 227
No: Ligand ECFP6 Tc MDL keys Tc
1 7MC 1 1
2 7MD 0.771429 0.975309
3 XAH 0.537815 0.904762
4 AMO 0.535088 0.901235
5 A 0.534653 0.817073
6 AMP 0.534653 0.817073
7 ABM 0.533981 0.819277
8 TXA 0.529915 0.878049
9 CA0 0.523364 0.865854
10 5AL 0.522523 0.876543
11 WAQ 0.521368 0.902439
12 LAD 0.521368 0.926829
13 A2D 0.519231 0.841463
14 ADP 0.518868 0.841463
15 AP5 0.518868 0.841463
16 B4P 0.518868 0.841463
17 1ZZ 0.516949 0.882353
18 PRX 0.513761 0.843373
19 ANP 0.513514 0.843373
20 9ZD 0.513043 0.857143
21 9ZA 0.513043 0.857143
22 MYR AMP 0.512605 0.860465
23 BA3 0.509434 0.841463
24 AP2 0.509434 0.833333
25 A12 0.509434 0.833333
26 AU1 0.509259 0.843373
27 M33 0.509259 0.853659
28 DSZ 0.508621 0.802198
29 ATP 0.504587 0.841463
30 HEJ 0.504587 0.841463
31 DAL AMP 0.504348 0.853659
32 AHX 0.504274 0.891566
33 NB8 0.504202 0.891566
34 ACQ 0.5 0.843373
35 GAP 0.5 0.865854
36 SON 0.5 0.855422
37 8QN 0.5 0.876543
38 SRA 0.5 0.77907
39 APC 0.5 0.833333
40 5SV 0.5 0.847059
41 AT4 0.5 0.811765
42 SRP 0.5 0.901235
43 AQP 0.5 0.841463
44 AN2 0.5 0.853659
45 5FA 0.5 0.841463
46 4AD 0.495726 0.890244
47 PAJ 0.495726 0.858824
48 ADP PO3 0.495495 0.817073
49 ADX 0.495413 0.766667
50 YAP 0.491803 0.86747
51 3OD 0.491667 0.888889
52 MAP 0.491379 0.823529
53 2SA 0.491228 0.878049
54 50T 0.490909 0.809524
55 ACP 0.490909 0.843373
56 OAD 0.487395 0.888889
57 6YZ 0.486957 0.843373
58 TAT 0.486726 0.811765
59 T99 0.486726 0.811765
60 AR6 0.486486 0.864198
61 APR 0.486486 0.864198
62 TYR AMP 0.483871 0.845238
63 PR8 0.483333 0.939024
64 B5V 0.483333 0.833333
65 KAA 0.483333 0.815217
66 52H 0.482759 0.744681
67 54H 0.482759 0.752688
68 VMS 0.482759 0.752688
69 AGS 0.482143 0.802326
70 SAP 0.482143 0.802326
71 RBY 0.482143 0.855422
72 ADV 0.482143 0.855422
73 AD9 0.482143 0.821429
74 PTJ 0.479339 0.825581
75 FYA 0.479339 0.853659
76 ME8 0.479339 0.860465
77 DLL 0.478992 0.853659
78 TSB 0.478632 0.78022
79 A5A 0.478261 0.769231
80 9X8 0.475 0.845238
81 OOB 0.474576 0.853659
82 AYB 0.473684 0.917647
83 S4M 0.472222 0.752809
84 GSU 0.471074 0.802198
85 OMR 0.469231 0.894118
86 B5Y 0.467742 0.845238
87 FA5 0.467742 0.878049
88 COD 0.466667 0.896552
89 00A 0.466667 0.813953
90 53H 0.466102 0.744681
91 A22 0.466102 0.831325
92 YLB 0.465649 0.928571
93 ADP ALF 0.465517 0.761364
94 ATF 0.465517 0.811765
95 ALF ADP 0.465517 0.761364
96 YLP 0.465116 0.951807
97 48N 0.465116 0.891566
98 G5A 0.464912 0.802198
99 ARG AMP 0.464567 0.872093
100 YSA 0.464 0.763441
101 5AS 0.463636 0.782609
102 3UK 0.46281 0.843373
103 LMS 0.462264 0.747253
104 25A 0.462185 0.819277
105 NAI 0.461538 0.813953
106 SSA 0.461538 0.802198
107 VO4 ADP 0.461538 0.809524
108 6V0 0.461538 0.825581
109 ADP VO4 0.461538 0.809524
110 A A 0.459016 0.797619
111 IOT 0.458647 0.895349
112 A3R 0.458333 0.902439
113 NSS 0.458333 0.782609
114 LSS 0.458333 0.765957
115 A1R 0.458333 0.902439
116 LAQ 0.457364 0.83908
117 M2T 0.456311 0.662921
118 B5M 0.456 0.845238
119 ATP A A A 0.456 0.807229
120 JB6 0.455285 0.835294
121 BIS 0.455285 0.835294
122 YLC 0.454545 0.927711
123 NVA LMS 0.454545 0.776596
124 LPA AMP 0.453846 0.818182
125 5CA 0.453782 0.802198
126 AOC 0.453704 0.714286
127 GA7 0.453125 0.855422
128 25L 0.451613 0.831325
129 LEU LMS 0.45082 0.757895
130 NAX 0.450382 0.848837
131 TAD 0.449612 0.816092
132 S7M 0.449153 0.738636
133 F2R 0.448529 0.905882
134 9SN 0.448 0.804598
135 TXE 0.44697 0.857143
136 TYM 0.44697 0.878049
137 ADQ 0.446281 0.865854
138 AHZ 0.446154 0.818182
139 AP0 0.443609 0.804598
140 BT5 0.442029 0.852273
141 AR6 AR6 0.44186 0.819277
142 4UU 0.44186 0.823529
143 8X1 0.441667 0.795699
144 CNA 0.441176 0.855422
145 YLY 0.439716 0.940476
146 TXD 0.439394 0.857143
147 DND 0.439394 0.855422
148 NXX 0.439394 0.855422
149 4UW 0.439394 0.837209
150 ADP BMA 0.439024 0.843373
151 80F 0.438849 0.820225
152 5X8 0.438596 0.746988
153 AMP DBH 0.4375 0.8
154 4UV 0.4375 0.823529
155 WSA 0.43609 0.771739
156 5N5 0.435644 0.753086
157 P5A 0.435484 0.826087
158 BTX 0.434783 0.840909
159 YLA 0.433824 0.905882
160 SXZ 0.432 0.758621
161 5CD 0.431373 0.698795
162 AFH 0.430769 0.837209
163 ADN 0.43 0.753086
164 RAB 0.43 0.753086
165 XYA 0.43 0.753086
166 3DH 0.429907 0.694118
167 DQV 0.427481 0.853659
168 GTA 0.427481 0.797753
169 DSH 0.427273 0.77381
170 FB0 0.426667 0.88764
171 SFG 0.426087 0.756098
172 AF3 ADP 3PG 0.425373 0.795455
173 SMM 0.425 0.733333
174 MTA 0.424528 0.694118
175 SAM 0.423729 0.719101
176 NAQ 0.423611 0.804598
177 T5A 0.423358 0.840909
178 ADJ 0.423358 0.850575
179 8PZ 0.421875 0.782609
180 N0B 0.42069 0.905882
181 9K8 0.420635 0.686869
182 7D5 0.420561 0.764706
183 G5P 0.419847 0.804598
184 EP4 0.419048 0.697674
185 SA8 0.418803 0.755814
186 A3D 0.41844 0.843373
187 6RE 0.418182 0.744186
188 UP5 0.41791 0.823529
189 A4D 0.417476 0.731707
190 A3P 0.415929 0.817073
191 DTA 0.415094 0.686047
192 EAD 0.414966 0.827586
193 649 0.414815 0.787234
194 NAJ PYZ 0.413793 0.75
195 G3A 0.412214 0.804598
196 4TC 0.411765 0.825581
197 6IA 0.411765 0.837209
198 DZD 0.411348 0.858824
199 J7C 0.410714 0.752941
200 A4P 0.408759 0.802198
201 AAT 0.408333 0.755814
202 EEM 0.408333 0.719101
203 62X 0.408 0.772727
204 7D3 0.40708 0.788235
205 GJV 0.40708 0.755814
206 NAE 0.406897 0.823529
207 PAP 0.40678 0.829268
208 4YB 0.406015 0.784946
209 NAJ PZO 0.405594 0.784091
210 CMX 0.405405 0.908046
211 7D4 0.405172 0.788235
212 K15 0.404762 0.790698
213 NAD 0.404255 0.831325
214 4TA 0.404255 0.808989
215 AMP NAD 0.404255 0.831325
216 A2P 0.403509 0.804878
217 MAO 0.403509 0.784091
218 SAH 0.403361 0.75
219 SAI 0.403361 0.741176
220 NEC 0.401786 0.731707
221 A3G 0.401786 0.802469
222 A3T 0.401709 0.777778
223 8Q2 0.40146 0.757895
224 V3L 0.4 0.841463
225 3AM 0.4 0.804878
226 0UM 0.4 0.809524
227 HAX 0.4 0.88764
Ligand no: 2; Ligand: COA; Similar ligands found: 211
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 AMX 0.871795 0.988235
7 30N 0.871795 0.913979
8 CAO 0.871795 0.965909
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 SOP 0.836066 0.977012
18 MCD 0.836066 0.954545
19 OXK 0.836066 0.977012
20 CA6 0.836066 0.885417
21 COK 0.836066 0.977012
22 CO6 0.829268 0.977012
23 NMX 0.829268 0.903226
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
26 CAJ 0.822581 0.954545
27 SCD 0.822581 0.976744
28 2MC 0.822581 0.934066
29 2CP 0.81746 0.965909
30 A1S 0.816 0.977012
31 3HC 0.816 0.988372
32 IVC 0.816 0.988372
33 1HE 0.816 0.955056
34 MLC 0.816 0.977012
35 BCO 0.816 0.977012
36 COD 0.810345 0.988235
37 COO 0.809524 0.977012
38 MCA 0.809524 0.965909
39 CAA 0.809524 0.988372
40 YE1 0.809524 0.965517
41 MC4 0.80315 0.923913
42 SCA 0.80315 0.977012
43 CA8 0.796875 0.885417
44 COF 0.796875 0.955056
45 BYC 0.796875 0.977012
46 COW 0.796875 0.965909
47 3CP 0.796875 0.977012
48 IRC 0.796875 0.988372
49 1GZ 0.796875 0.965909
50 HGG 0.796875 0.977012
51 2KQ 0.796875 0.955056
52 BCA 0.790698 0.965909
53 4CA 0.790698 0.965909
54 FAQ 0.790698 0.977012
55 HXC 0.784615 0.955056
56 GRA 0.784615 0.977012
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 2NE 0.772727 0.955056
60 1CZ 0.772727 0.965909
61 CO8 0.772727 0.955056
62 S0N 0.772727 0.954545
63 CIC 0.772727 0.977012
64 DCC 0.766917 0.955056
65 UCC 0.766917 0.955056
66 0FQ 0.766917 0.977012
67 MYA 0.766917 0.955056
68 ST9 0.766917 0.955056
69 4CO 0.766917 0.965909
70 5F9 0.766917 0.955056
71 MFK 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 WCA 0.755556 0.955056
75 CS8 0.755556 0.944444
76 UOQ 0.75 0.955056
77 NHW 0.75 0.955056
78 NHM 0.75 0.955056
79 4KX 0.75 0.944444
80 HDC 0.75 0.955056
81 MRR 0.744526 0.955056
82 MRS 0.744526 0.955056
83 HFQ 0.744526 0.955056
84 YNC 0.73913 0.965909
85 DAK 0.73913 0.944444
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 F8G 0.715278 0.913979
89 1HA 0.713287 0.955056
90 01K 0.708333 0.977012
91 COT 0.703448 0.977012
92 CCQ 0.695652 0.934066
93 CA3 0.693878 0.977012
94 7L1 0.692308 0.965909
95 CA5 0.671053 0.934066
96 UCA 0.666667 0.955056
97 93P 0.666667 0.965909
98 CO7 0.664234 0.977012
99 93M 0.64557 0.965909
100 OXT 0.634146 0.913979
101 5TW 0.607143 0.913979
102 4BN 0.607143 0.913979
103 PAP 0.603604 0.811765
104 JBT 0.598837 0.894737
105 BSJ 0.592814 0.944444
106 HMG 0.581081 0.943182
107 COA PLM 0.573333 0.922222
108 PLM COA 0.573333 0.922222
109 A3P 0.54955 0.8
110 PPS 0.547009 0.752688
111 ASP ASP ASP ILE CMC NH2 0.536585 0.932584
112 0WD 0.521739 0.788889
113 SFC 0.490683 0.955056
114 RFC 0.490683 0.955056
115 191 0.490196 0.865979
116 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
117 3AM 0.482143 0.788235
118 PTJ 0.48062 0.872093
119 4PS 0.477477 0.682353
120 A22 0.468254 0.813953
121 A2D 0.465517 0.802326
122 PUA 0.462585 0.820225
123 PAJ 0.460938 0.883721
124 ATR 0.459016 0.8
125 SAP 0.459016 0.806818
126 AGS 0.459016 0.806818
127 3OD 0.458015 0.825581
128 ADP 0.453782 0.823529
129 A2R 0.448819 0.813953
130 BA3 0.445378 0.802326
131 OAD 0.442748 0.825581
132 NA7 0.442748 0.858824
133 ATP 0.442623 0.823529
134 HEJ 0.442623 0.823529
135 AP5 0.441667 0.802326
136 B4P 0.441667 0.802326
137 AR6 0.439024 0.802326
138 APR 0.439024 0.802326
139 2A5 0.439024 0.847059
140 5FA 0.439024 0.823529
141 AQP 0.439024 0.823529
142 AN2 0.438017 0.813953
143 AT4 0.438017 0.816092
144 48N 0.435714 0.808989
145 M33 0.434426 0.813953
146 9X8 0.431818 0.806818
147 SRP 0.429688 0.837209
148 ANP 0.428571 0.804598
149 ADQ 0.427481 0.804598
150 YLB 0.426573 0.908046
151 YLP 0.425532 0.886364
152 5AL 0.425197 0.813953
153 7D3 0.425 0.793103
154 AD9 0.424 0.804598
155 APU 0.423611 0.786517
156 7D4 0.422764 0.793103
157 CA0 0.422764 0.804598
158 25L 0.422222 0.813953
159 ATF 0.421875 0.795455
160 F2R 0.421769 0.865169
161 NJP 0.421769 0.806818
162 A2P 0.421488 0.788235
163 A A A 0.421053 0.813953
164 8QN 0.419847 0.813953
165 PNS 0.419643 0.682353
166 ACP 0.419355 0.825581
167 NDP 0.417808 0.788889
168 ACQ 0.417323 0.825581
169 A1R 0.416667 0.882353
170 ATP A A A 0.416058 0.770115
171 A 0.415254 0.8
172 AMP 0.415254 0.8
173 1ZZ 0.414815 0.842697
174 NB8 0.414815 0.808989
175 TXA 0.414815 0.816092
176 FYA 0.414815 0.813953
177 DLL 0.413534 0.793103
178 00A 0.413534 0.758242
179 AHX 0.413534 0.829545
180 PAX 0.412903 0.793478
181 DQV 0.411348 0.813953
182 OMR 0.409722 0.853933
183 9ZD 0.409091 0.818182
184 25A 0.409091 0.802326
185 OOB 0.409091 0.793103
186 9ZA 0.409091 0.818182
187 NPW 0.408163 0.822222
188 6YZ 0.407692 0.825581
189 A A 0.407407 0.781609
190 WAQ 0.407407 0.860465
191 TAT 0.40625 0.816092
192 T99 0.40625 0.816092
193 AMO 0.406015 0.837209
194 4AD 0.406015 0.827586
195 A3R 0.406015 0.882353
196 FA5 0.405797 0.816092
197 YAP 0.405797 0.806818
198 B5Y 0.405797 0.786517
199 TXP 0.405405 0.829545
200 ABM 0.404959 0.781609
201 PRX 0.404762 0.825581
202 ME8 0.404412 0.842697
203 BIS 0.404412 0.818182
204 AFH 0.404255 0.78022
205 J7V 0.403846 0.778947
206 NAI 0.402778 0.777778
207 ODP 0.402685 0.78022
208 DAL AMP 0.401515 0.793103
209 AU1 0.4 0.804598
210 ADX 0.4 0.752688
211 SRA 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3R96; Ligand: ACO; Similar sites found with APoc: 327
This union binding pocket(no: 1) in the query (biounit: 3r96.bio2) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1BO4 COA None
2 1GXU 2HP None
3 5GVR LMR None
4 2AWN ADP None
5 1GHE ACO None
6 1QKQ MAN None
7 4AG9 COA None
8 3W5J GDP None
9 4K30 NLG None
10 4BQS ADP None
11 4U9W COA None
12 2HT6 GDP None
13 1M2Z BOG None
14 6G96 ACO None
15 3SAO DBH None
16 4I67 G G G RPC None
17 1YZG GDP None
18 3FIU POP 1.06383
19 1UYY BGC BGC 1.52672
20 2W58 ADP 1.59574
21 3KC1 2T6 1.59574
22 2Z3U CRR 1.59574
23 1U3G ADP 1.59574
24 1TKU 5RP 1.59574
25 2WIC GNP 1.59574
26 4WGF HX2 1.59574
27 5H4S RAM 1.59574
28 2BES RES 1.74419
29 1UPT GTP 1.75439
30 4KVX ACO 1.92308
31 3TO7 COA 2.12766
32 6BA2 7KM 2.12766
33 3TE4 ACO 2.12766
34 3TK1 GDP 2.12766
35 3GD9 GLC BGC BGC BGC 2.12766
36 4L80 OXL 2.12766
37 4TS1 TYR 2.12766
38 1T5C ADP 2.12766
39 5HCN GCP 2.12766
40 5O2J 2PO 2.12766
41 2JEV NHQ 2.29885
42 2B4B COA 2.33918
43 2B4D COA 2.33918
44 2AGC DAO 2.46914
45 2ZPA ACO 2.65957
46 4UA3 COA 2.65957
47 2D2F ADP 2.65957
48 2WPX ACO 2.65957
49 2WPW ACO 2.65957
50 5HH0 COA 2.65957
51 2XT3 ADP 2.65957
52 2YNE NHW 2.65957
53 2YNE YNE 2.65957
54 2DPY ADP 2.65957
55 1LVW TYD 2.65957
56 2I4O ATP 2.65957
57 1M7G AV2 2.65957
58 1EYQ NAR 2.65957
59 1CT9 AMP 2.65957
60 2YNC YNC 2.65957
61 2AZ5 307 2.7027
62 3Q72 GNP 3.01205
63 2C3H GLC GLC 3.06122
64 4RF7 ARG 3.19149
65 2WSA MYA 3.19149
66 2WSA 646 3.19149
67 5G48 1FL 3.19149
68 2X7I CIT 3.19149
69 2OFW ADX 3.19149
70 1KUV CA5 3.19149
71 1SNN 5RP 3.19149
72 5ZXD ATP 3.19149
73 4P6C RES 3.19149
74 1LSH PLD 3.19149
75 1U0J ADP 3.19149
76 5LY1 PPI 3.19149
77 1IID NHM 3.19149
78 4DCT GDP 3.19149
79 1EBL COA 3.19149
80 1N71 COA 3.33333
81 4R3L COA 3.46821
82 2VBQ BSJ 3.63636
83 1YQT ADP 3.7234
84 4UWJ 7L5 3.7234
85 4UWJ MYA 3.7234
86 1XKV ATP 3.7234
87 3E70 GDP 3.7234
88 3COB ADP 3.7234
89 4MOB ADP 3.7234
90 2IYL GDP 3.7234
91 3DC4 ADP 3.7234
92 3G1Z AMP 3.7234
93 3KV4 OGA 3.7234
94 5UIV ADP 3.7234
95 2CJW GDP 3.7234
96 5U83 ZN8 3.7234
97 5XJD 87L 3.7234
98 3A5Y KAA 3.7234
99 4H6B 10X 3.7234
100 1MR3 G3D 3.8674
101 5JPH COA 4.16667
102 4WOH 4NP 4.21687
103 2ZW5 COA 4.25532
104 5GK9 ACO 4.25532
105 5YV5 ADP 4.25532
106 3NHB ADP 4.25532
107 3B5J 12D 4.25532
108 2V2G BEZ 4.25532
109 3QSB 743 4.25532
110 2WHX ADP 4.25532
111 2YKL NLD 4.25532
112 3JQG AX6 4.25532
113 2XAU ADP 4.25532
114 1SJD NPG 4.25532
115 5M04 GDP 4.25532
116 1DNP MHF 4.25532
117 2BO4 FLC 4.25532
118 6C0B PAM 4.25532
119 1LDN FBP 4.25532
120 4CME KTZ 4.25532
121 5KUT GDP 4.25532
122 1SVI GDP 4.25532
123 3LN9 FLC 4.31655
124 3F81 STT 4.37158
125 4P7U 1PS 4.46429
126 2PEZ DAT 4.46927
127 2OG2 MLI 4.78723
128 3B9Q MLI 4.78723
129 1P0H ACO 4.78723
130 1P0H COA 4.78723
131 4WZ6 ATP 4.78723
132 1OXV ANP 4.78723
133 4FRZ ADP 4.78723
134 3MD0 GDP 4.78723
135 3ZUY TCH 4.78723
136 6BXL SAM 4.78723
137 1RJW ETF 4.78723
138 3GJ0 GDP 4.78723
139 3TBK ANP 4.78723
140 3BFV ADP 4.78723
141 6B5K TYD 4.78723
142 4KOT CE3 4.93827
143 4KFU ACP 5.18868
144 2FT0 ACO 5.31915
145 4NSQ COA 5.31915
146 4U00 ADP 5.31915
147 1G6H ADP 5.31915
148 1JJ7 ADP 5.31915
149 1LVG ADP 5.31915
150 5MU6 MYA 5.31915
151 5MU6 KFK 5.31915
152 5CK5 GDP 5.31915
153 3PQC GDP 5.31915
154 2Y91 98J 5.31915
155 4JZ8 CIT 5.31915
156 4C2X NHW 5.31915
157 1K6M AGS 5.31915
158 5HWV MBN 5.38462
159 1Z0A GDP 5.74713
160 5LS7 ACO 5.83942
161 4CRZ ACO 5.83942
162 4H6U ACO 5.85106
163 1RRC ADP 5.85106
164 2VVG ADP 5.85106
165 3D2M COA 5.85106
166 1V8K ANP 5.85106
167 5NM7 GLY 5.85106
168 4IHQ ADP 5.85106
169 3N9Q OGA 5.85106
170 3BER AMP 5.85106
171 3N9O OGA 5.85106
172 2F7C CCU 5.85106
173 4LC1 GDP 5.85106
174 1GXS BEZ 5.85106
175 5L3W GDP 5.85106
176 2RCA GLY 5.85106
177 3N9P OGA 5.85106
178 2HIM ASP 5.85106
179 2RCN GDP 5.85106
180 3Q85 GNP 5.91716
181 1CM0 COA 5.95238
182 5FVJ ACO 6.0241
183 4B5P ACO 6.38298
184 1JI0 ATP 6.38298
185 1GOJ ADP 6.38298
186 5XQL C2E 6.38298
187 4YMU ATP 6.38298
188 4BLW AMP 6.38298
189 4MLM TLA 6.38298
190 3V78 ET 6.38298
191 2GQS C2R 6.38298
192 1QSM ACO 6.57895
193 3H4S ADP 6.66667
194 4KZV TRE 6.71642
195 3GUZ PAF 6.81818
196 1XXR MAN 6.8323
197 2JDC CAO 6.84932
198 3CBC DBS 6.91489
199 1F9V ADP 6.91489
200 5L2R MLA 6.91489
201 5LXB 7A9 6.91489
202 1YRB GDP 6.91489
203 5HR5 ADP 6.91489
204 2FSH ANP 6.91489
205 4TTQ ATP 6.91489
206 1VG9 GDP 7.02703
207 1VG1 GDP 7.02703
208 3GJ7 GDP 7.14286
209 4CVN ADP 7.29927
210 3NEM ATP 7.44681
211 3EC1 GDP 7.44681
212 3RC3 ANP 7.44681
213 2ZR9 DTP 7.44681
214 3N75 G4P 7.44681
215 1S9D GDP 7.44681
216 4HVA 4HV 7.44681
217 4YRI 4JH 7.44681
218 5F1V 3VN 7.44681
219 2Q4V ACO 7.64706
220 3A4M ADP 7.69231
221 5BXQ GDP 7.87402
222 1N07 ADP 7.97546
223 4B1W LAB 7.97872
224 3MN5 LAB 7.97872
225 4B1X LAB 7.97872
226 5YEE LAB 7.97872
227 5ZZB LAB 7.97872
228 2CYB TYR 7.97872
229 1XQP 8HG 7.97872
230 3UIE ANP 7.97872
231 2HK9 ATR 8.36364
232 1B0U ATP 8.51064
233 2J5V PCA 8.51064
234 3NZ1 3NY 8.51064
235 3ZIA ADP 8.51064
236 5L3V GDP 8.51064
237 3GJ8 GDP 8.69565
238 3F8K COA 8.75
239 3ZJ0 ACO 9.04255
240 2Y65 ADP 9.04255
241 4WOE ADP 9.04255
242 4FE2 AIR 9.04255
243 5FPE 3TR 9.57447
244 1G6O ADP 9.57447
245 1XP8 AGS 9.57447
246 3CV2 COA 9.57447
247 2V7Q ADP 9.57447
248 2KIN ADP 10
249 4L77 CNL 10.1064
250 4IEE AGS 10.1064
251 2IXE ATP 10.1064
252 4NON GDP 10.1064
253 1A5Z FBP 10.1064
254 3A16 PXO 10.6383
255 5U32 GDP 10.6383
256 5KJW 53C 10.6383
257 6GNO XDI 11.1111
258 3IIJ ADP 11.1111
259 1JJV ATP 11.1702
260 4AG5 ADP 11.1702
261 1CJW COT 11.4458
262 6EDV COA 11.7021
263 4RI1 ACO 11.828
264 3K9U ACO 11.9497
265 5LX9 OLB 12.234
266 1HK8 DGT 12.234
267 1FZQ GDP 12.7072
268 5TSH ADP 12.766
269 5TSH ANP 12.766
270 4R2I ANP 12.766
271 1V0C KNC 13.2979
272 1V0C ACO 13.2979
273 4AVB ACO 13.2979
274 5Y4R C2E 13.2979
275 2ZBA COA 13.2979
276 3CH5 GDP 13.4615
277 4ZJS 4P0 13.8298
278 5HGZ ACO 13.8298
279 1G7C 5GP 13.8298
280 3H0L ADP 13.8298
281 5OCA 9QZ 13.8298
282 1M4I COA 14.3646
283 1M4I KAN 14.3646
284 1M4I PAP 14.3646
285 2QN6 GDP 15.0538
286 4QM7 GTP 15.2047
287 1IYK MYA 15.9574
288 4PSW COA 16.4894
289 1BOB ACO 16.4894
290 6GYT GLY LEU GLY ALY GLY GLY ALA ALY ALA 16.6667
291 1I1D COA 16.7702
292 1I1D 16G 16.7702
293 5O74 GDP 17.0213
294 5YGE GLU 17.2414
295 5YGE ACO 17.2414
296 5JVB 2PO 18.617
297 3UUA 0CZ 18.617
298 1SDW IYT 19.1489
299 1TIQ COA 20.5556
300 5H86 BCO 20.8333
301 3GJ3 GDP 21.2121
302 4QC6 30N 21.229
303 3FDZ DG2 21.2766
304 4MG9 27K 21.8085
305 4MGA 27L 21.8085
306 1RE0 GDP 21.8085
307 4MGD 27N 21.8085
308 1PUA COA 22.6994
309 4R57 ACO 22.7273
310 1Q2D COA 22.8395
311 1QSN COA 22.8395
312 1QSR ACO 22.8395
313 1Q2C COA 22.8395
314 5KF9 ACO 23.4043
315 5KF9 NAG 23.4043
316 5KF9 COA 23.4043
317 3GJ5 GDP 23.5294
318 4XPL ACO 23.9264
319 3GJ4 GDP 24.2424
320 5WGQ EST 24.4681
321 2CUN 3PG 28.7234
322 2CNT COA 31.875
323 1O9U ADZ 33.3333
324 1XX6 ADP 34.5745
325 2GKS ADP 35.1064
326 3WR7 COA 37.6471
327 4OGQ 7PH 41.1765
Pocket No.: 2; Query (leader) PDB : 3R96; Ligand: AMP; Similar sites found with APoc: 327
This union binding pocket(no: 2) in the query (biounit: 3r96.bio2) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1BO4 COA None
2 1GXU 2HP None
3 5GVR LMR None
4 2AWN ADP None
5 1GHE ACO None
6 1QKQ MAN None
7 4AG9 COA None
8 3W5J GDP None
9 4K30 NLG None
10 4BQS ADP None
11 4U9W COA None
12 2HT6 GDP None
13 1M2Z BOG None
14 6G96 ACO None
15 3SAO DBH None
16 4I67 G G G RPC None
17 1YZG GDP None
18 3FIU POP 1.06383
19 1UYY BGC BGC 1.52672
20 2W58 ADP 1.59574
21 3KC1 2T6 1.59574
22 2Z3U CRR 1.59574
23 1U3G ADP 1.59574
24 1TKU 5RP 1.59574
25 2WIC GNP 1.59574
26 4WGF HX2 1.59574
27 5H4S RAM 1.59574
28 2BES RES 1.74419
29 1UPT GTP 1.75439
30 4KVX ACO 1.92308
31 3TO7 COA 2.12766
32 6BA2 7KM 2.12766
33 3TE4 ACO 2.12766
34 3TK1 GDP 2.12766
35 3GD9 GLC BGC BGC BGC 2.12766
36 4L80 OXL 2.12766
37 4TS1 TYR 2.12766
38 1T5C ADP 2.12766
39 5HCN GCP 2.12766
40 5O2J 2PO 2.12766
41 2JEV NHQ 2.29885
42 2B4B COA 2.33918
43 2B4D COA 2.33918
44 2AGC DAO 2.46914
45 2ZPA ACO 2.65957
46 4UA3 COA 2.65957
47 2D2F ADP 2.65957
48 2WPX ACO 2.65957
49 2WPW ACO 2.65957
50 5HH0 COA 2.65957
51 2XT3 ADP 2.65957
52 2YNE NHW 2.65957
53 2YNE YNE 2.65957
54 2DPY ADP 2.65957
55 1LVW TYD 2.65957
56 2I4O ATP 2.65957
57 1M7G AV2 2.65957
58 1EYQ NAR 2.65957
59 1CT9 AMP 2.65957
60 2YNC YNC 2.65957
61 2AZ5 307 2.7027
62 3Q72 GNP 3.01205
63 2C3H GLC GLC 3.06122
64 4RF7 ARG 3.19149
65 2WSA MYA 3.19149
66 2WSA 646 3.19149
67 5G48 1FL 3.19149
68 2X7I CIT 3.19149
69 2OFW ADX 3.19149
70 1KUV CA5 3.19149
71 1SNN 5RP 3.19149
72 5ZXD ATP 3.19149
73 4P6C RES 3.19149
74 1LSH PLD 3.19149
75 1U0J ADP 3.19149
76 5LY1 PPI 3.19149
77 1IID NHM 3.19149
78 4DCT GDP 3.19149
79 1EBL COA 3.19149
80 1N71 COA 3.33333
81 4R3L COA 3.46821
82 2VBQ BSJ 3.63636
83 1YQT ADP 3.7234
84 4UWJ 7L5 3.7234
85 4UWJ MYA 3.7234
86 1XKV ATP 3.7234
87 3E70 GDP 3.7234
88 3COB ADP 3.7234
89 4MOB ADP 3.7234
90 2IYL GDP 3.7234
91 3DC4 ADP 3.7234
92 3G1Z AMP 3.7234
93 3KV4 OGA 3.7234
94 5UIV ADP 3.7234
95 2CJW GDP 3.7234
96 5U83 ZN8 3.7234
97 5XJD 87L 3.7234
98 3A5Y KAA 3.7234
99 4H6B 10X 3.7234
100 1MR3 G3D 3.8674
101 5JPH COA 4.16667
102 4WOH 4NP 4.21687
103 2ZW5 COA 4.25532
104 5GK9 ACO 4.25532
105 5YV5 ADP 4.25532
106 3NHB ADP 4.25532
107 3B5J 12D 4.25532
108 2V2G BEZ 4.25532
109 3QSB 743 4.25532
110 2WHX ADP 4.25532
111 2YKL NLD 4.25532
112 3JQG AX6 4.25532
113 2XAU ADP 4.25532
114 1SJD NPG 4.25532
115 5M04 GDP 4.25532
116 1DNP MHF 4.25532
117 2BO4 FLC 4.25532
118 6C0B PAM 4.25532
119 1LDN FBP 4.25532
120 4CME KTZ 4.25532
121 5KUT GDP 4.25532
122 1SVI GDP 4.25532
123 3LN9 FLC 4.31655
124 3F81 STT 4.37158
125 4P7U 1PS 4.46429
126 2PEZ DAT 4.46927
127 2OG2 MLI 4.78723
128 3B9Q MLI 4.78723
129 1P0H ACO 4.78723
130 1P0H COA 4.78723
131 4WZ6 ATP 4.78723
132 1OXV ANP 4.78723
133 4FRZ ADP 4.78723
134 3MD0 GDP 4.78723
135 3ZUY TCH 4.78723
136 6BXL SAM 4.78723
137 1RJW ETF 4.78723
138 3GJ0 GDP 4.78723
139 3TBK ANP 4.78723
140 3BFV ADP 4.78723
141 6B5K TYD 4.78723
142 4KOT CE3 4.93827
143 4KFU ACP 5.18868
144 2FT0 ACO 5.31915
145 4NSQ COA 5.31915
146 4U00 ADP 5.31915
147 1G6H ADP 5.31915
148 1JJ7 ADP 5.31915
149 1LVG ADP 5.31915
150 5MU6 MYA 5.31915
151 5MU6 KFK 5.31915
152 5CK5 GDP 5.31915
153 3PQC GDP 5.31915
154 2Y91 98J 5.31915
155 4JZ8 CIT 5.31915
156 4C2X NHW 5.31915
157 1K6M AGS 5.31915
158 5HWV MBN 5.38462
159 1Z0A GDP 5.74713
160 5LS7 ACO 5.83942
161 4CRZ ACO 5.83942
162 4H6U ACO 5.85106
163 1RRC ADP 5.85106
164 2VVG ADP 5.85106
165 3D2M COA 5.85106
166 1V8K ANP 5.85106
167 5NM7 GLY 5.85106
168 4IHQ ADP 5.85106
169 3N9Q OGA 5.85106
170 3BER AMP 5.85106
171 3N9O OGA 5.85106
172 2F7C CCU 5.85106
173 4LC1 GDP 5.85106
174 1GXS BEZ 5.85106
175 5L3W GDP 5.85106
176 2RCA GLY 5.85106
177 3N9P OGA 5.85106
178 2HIM ASP 5.85106
179 2RCN GDP 5.85106
180 3Q85 GNP 5.91716
181 1CM0 COA 5.95238
182 5FVJ ACO 6.0241
183 4B5P ACO 6.38298
184 1JI0 ATP 6.38298
185 1GOJ ADP 6.38298
186 5XQL C2E 6.38298
187 4YMU ATP 6.38298
188 4BLW AMP 6.38298
189 4MLM TLA 6.38298
190 3V78 ET 6.38298
191 2GQS C2R 6.38298
192 1QSM ACO 6.57895
193 3H4S ADP 6.66667
194 4KZV TRE 6.71642
195 3GUZ PAF 6.81818
196 1XXR MAN 6.8323
197 2JDC CAO 6.84932
198 3CBC DBS 6.91489
199 1F9V ADP 6.91489
200 5L2R MLA 6.91489
201 5LXB 7A9 6.91489
202 1YRB GDP 6.91489
203 5HR5 ADP 6.91489
204 2FSH ANP 6.91489
205 4TTQ ATP 6.91489
206 1VG9 GDP 7.02703
207 1VG1 GDP 7.02703
208 3GJ7 GDP 7.14286
209 4CVN ADP 7.29927
210 3NEM ATP 7.44681
211 3EC1 GDP 7.44681
212 3RC3 ANP 7.44681
213 2ZR9 DTP 7.44681
214 3N75 G4P 7.44681
215 1S9D GDP 7.44681
216 4HVA 4HV 7.44681
217 4YRI 4JH 7.44681
218 5F1V 3VN 7.44681
219 2Q4V ACO 7.64706
220 3A4M ADP 7.69231
221 5BXQ GDP 7.87402
222 1N07 ADP 7.97546
223 4B1W LAB 7.97872
224 3MN5 LAB 7.97872
225 4B1X LAB 7.97872
226 5YEE LAB 7.97872
227 5ZZB LAB 7.97872
228 2CYB TYR 7.97872
229 1XQP 8HG 7.97872
230 3UIE ANP 7.97872
231 2HK9 ATR 8.36364
232 1B0U ATP 8.51064
233 2J5V PCA 8.51064
234 3NZ1 3NY 8.51064
235 3ZIA ADP 8.51064
236 5L3V GDP 8.51064
237 3GJ8 GDP 8.69565
238 3F8K COA 8.75
239 3ZJ0 ACO 9.04255
240 2Y65 ADP 9.04255
241 4WOE ADP 9.04255
242 4FE2 AIR 9.04255
243 5FPE 3TR 9.57447
244 1G6O ADP 9.57447
245 1XP8 AGS 9.57447
246 3CV2 COA 9.57447
247 2V7Q ADP 9.57447
248 2KIN ADP 10
249 4L77 CNL 10.1064
250 4IEE AGS 10.1064
251 2IXE ATP 10.1064
252 4NON GDP 10.1064
253 1A5Z FBP 10.1064
254 3A16 PXO 10.6383
255 5U32 GDP 10.6383
256 5KJW 53C 10.6383
257 6GNO XDI 11.1111
258 3IIJ ADP 11.1111
259 1JJV ATP 11.1702
260 4AG5 ADP 11.1702
261 1CJW COT 11.4458
262 6EDV COA 11.7021
263 4RI1 ACO 11.828
264 3K9U ACO 11.9497
265 5LX9 OLB 12.234
266 1HK8 DGT 12.234
267 1FZQ GDP 12.7072
268 5TSH ADP 12.766
269 5TSH ANP 12.766
270 4R2I ANP 12.766
271 1V0C KNC 13.2979
272 1V0C ACO 13.2979
273 4AVB ACO 13.2979
274 5Y4R C2E 13.2979
275 2ZBA COA 13.2979
276 3CH5 GDP 13.4615
277 4ZJS 4P0 13.8298
278 5HGZ ACO 13.8298
279 1G7C 5GP 13.8298
280 3H0L ADP 13.8298
281 5OCA 9QZ 13.8298
282 1M4I COA 14.3646
283 1M4I KAN 14.3646
284 1M4I PAP 14.3646
285 2QN6 GDP 15.0538
286 4QM7 GTP 15.2047
287 1IYK MYA 15.9574
288 4PSW COA 16.4894
289 1BOB ACO 16.4894
290 6GYT GLY LEU GLY ALY GLY GLY ALA ALY ALA 16.6667
291 1I1D COA 16.7702
292 1I1D 16G 16.7702
293 5O74 GDP 17.0213
294 5YGE GLU 17.2414
295 5YGE ACO 17.2414
296 5JVB 2PO 18.617
297 3UUA 0CZ 18.617
298 1SDW IYT 19.1489
299 1TIQ COA 20.5556
300 5H86 BCO 20.8333
301 3GJ3 GDP 21.2121
302 4QC6 30N 21.229
303 3FDZ DG2 21.2766
304 4MG9 27K 21.8085
305 4MGA 27L 21.8085
306 1RE0 GDP 21.8085
307 4MGD 27N 21.8085
308 1PUA COA 22.6994
309 4R57 ACO 22.7273
310 1Q2D COA 22.8395
311 1QSN COA 22.8395
312 1QSR ACO 22.8395
313 1Q2C COA 22.8395
314 5KF9 ACO 23.4043
315 5KF9 NAG 23.4043
316 5KF9 COA 23.4043
317 3GJ5 GDP 23.5294
318 4XPL ACO 23.9264
319 3GJ4 GDP 24.2424
320 5WGQ EST 24.4681
321 2CUN 3PG 28.7234
322 2CNT COA 31.875
323 1O9U ADZ 33.3333
324 1XX6 ADP 34.5745
325 2GKS ADP 35.1064
326 3WR7 COA 37.6471
327 4OGQ 7PH 41.1765
Pocket No.: 3; Query (leader) PDB : 3R96; Ligand: AMP; Similar sites found with APoc: 41
This union binding pocket(no: 3) in the query (biounit: 3r96.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4F5Z BEZ None
2 3IUY AMP None
3 5O0X FAD 1.06383
4 1RDL MMA 2.65487
5 6E1Q CFA 2.65957
6 4MAF ADX 2.65957
7 2J5B TYE 2.65957
8 1Q19 SSC 2.65957
9 3KJI ADP 2.65957
10 4FFG 0U8 3.19149
11 6AIC AMP 3.19149
12 3WH2 FLC 3.40136
13 1WD4 AHR 3.7234
14 1BGV GLU 3.7234
15 5MZN ADP 4.25532
16 1JG3 VAL TYR PRO IAS HIS ALA 4.25532
17 2ZTG A5A 4.25532
18 1F6B GDP 4.25532
19 4PX9 ADP 4.25532
20 1PVC ILE SER GLU VAL 4.78723
21 5JH2 A2P 4.78723
22 4KVL PLM 5.31915
23 3FAL REA 6.38298
24 4G6I RS3 6.38298
25 5AHO TLA 6.91489
26 1PFK ADP 6.91489
27 1KY3 GDP 7.14286
28 5X80 SAL 8.125
29 4G2R H1L 8.51064
30 3NIM ARG ARG ALA ALA 9.7561
31 1KK8 BEF ADP 10.0719
32 3HQP FDP 10.1064
33 3W6G FLC 12.766
34 1N13 AG2 13.4615
35 5HGZ MLA 13.8298
36 4J24 EST 17.0213
37 1YTM OXD 19.1489
38 1TV5 N8E 19.6809
39 4QC6 KAN 21.229
40 5HYR EST 24.4681
41 4B1V LAB 28.125
Pocket No.: 4; Query (leader) PDB : 3R96; Ligand: ACO; Similar sites found with APoc: 41
This union binding pocket(no: 4) in the query (biounit: 3r96.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4F5Z BEZ None
2 3IUY AMP None
3 5O0X FAD 1.06383
4 1RDL MMA 2.65487
5 6E1Q CFA 2.65957
6 4MAF ADX 2.65957
7 2J5B TYE 2.65957
8 1Q19 SSC 2.65957
9 3KJI ADP 2.65957
10 4FFG 0U8 3.19149
11 6AIC AMP 3.19149
12 3WH2 FLC 3.40136
13 1WD4 AHR 3.7234
14 1BGV GLU 3.7234
15 5MZN ADP 4.25532
16 1JG3 VAL TYR PRO IAS HIS ALA 4.25532
17 2ZTG A5A 4.25532
18 1F6B GDP 4.25532
19 4PX9 ADP 4.25532
20 1PVC ILE SER GLU VAL 4.78723
21 5JH2 A2P 4.78723
22 4KVL PLM 5.31915
23 3FAL REA 6.38298
24 4G6I RS3 6.38298
25 5AHO TLA 6.91489
26 1PFK ADP 6.91489
27 1KY3 GDP 7.14286
28 5X80 SAL 8.125
29 4G2R H1L 8.51064
30 3NIM ARG ARG ALA ALA 9.7561
31 1KK8 BEF ADP 10.0719
32 3HQP FDP 10.1064
33 3W6G FLC 12.766
34 1N13 AG2 13.4615
35 5HGZ MLA 13.8298
36 4J24 EST 17.0213
37 1YTM OXD 19.1489
38 1TV5 N8E 19.6809
39 4QC6 KAN 21.229
40 5HYR EST 24.4681
41 4B1V LAB 28.125
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