Receptor
PDB id Resolution Class Description Source Keywords
4XYM 1.9 Å EC: 7.-.-.- CA. KORARCHAEUM CRYPTOFILUM DINUCLEOTIDE FORMING ACETYL-COEN SYNTHETASE 1 IN COMPLEX WITH COENZYME A, CA-AMPCP AND HGCL+ KORARCHAEUM CRYPTOFILUM (STRAIN OPF8) DINUCLEOTIDE FORMING ACETYL-COA SYNTHETASE COMPLEX ACD LI
Ref.: STRUCTURE OF NDP-FORMING ACETYL-COA SYNTHETASE ACD1 A LARGE REARRANGEMENT FOR PHOSPHORYL TRANSFER. PROC.NATL.ACAD.SCI.USA V. 113 E519 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:506;
A:501;
A:503;
C:501;
C:503;
C:506;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
CA D:303;
B:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
COA A:508;
C:508;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
A12 D:302;
B:300;
Valid;
Valid;
none;
none;
submit data
425.228 C11 H17 N5 O9 P2 c1nc(...
NA D:301;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XYM 1.9 Å EC: 7.-.-.- CA. KORARCHAEUM CRYPTOFILUM DINUCLEOTIDE FORMING ACETYL-COEN SYNTHETASE 1 IN COMPLEX WITH COENZYME A, CA-AMPCP AND HGCL+ KORARCHAEUM CRYPTOFILUM (STRAIN OPF8) DINUCLEOTIDE FORMING ACETYL-COA SYNTHETASE COMPLEX ACD LI
Ref.: STRUCTURE OF NDP-FORMING ACETYL-COA SYNTHETASE ACD1 A LARGE REARRANGEMENT FOR PHOSPHORYL TRANSFER. PROC.NATL.ACAD.SCI.USA V. 113 E519 2016
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4YAK - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 4XYM - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 4XYL - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 4YBZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 4YB8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 4Y8V - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 5HBR - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 4YAK - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 4XYM - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 4XYL - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 4YBZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 4YB8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 4Y8V - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 5HBR - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 4YAK - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 4XYM - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 4XYL - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 4YBZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 4YB8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 4Y8V - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 5HBR - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 197
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 CAO 0.871795 0.965909
7 AMX 0.871795 0.988235
8 30N 0.871795 0.913979
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 FAM 0.857143 0.954545
12 ACO 0.857143 0.965909
13 FCX 0.857143 0.94382
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 CA6 0.836066 0.885417
18 SOP 0.836066 0.977012
19 MCD 0.836066 0.954545
20 COK 0.836066 0.977012
21 OXK 0.836066 0.977012
22 NMX 0.829268 0.903226
23 CO6 0.829268 0.977012
24 CMC 0.829268 0.977012
25 1VU 0.829268 0.965909
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 BCO 0.816 0.977012
31 3HC 0.816 0.988372
32 1HE 0.816 0.955056
33 MLC 0.816 0.977012
34 A1S 0.816 0.977012
35 IVC 0.816 0.988372
36 COD 0.810345 0.988235
37 CAA 0.809524 0.988372
38 COO 0.809524 0.977012
39 MCA 0.809524 0.965909
40 YE1 0.809524 0.965517
41 SCA 0.80315 0.977012
42 MC4 0.80315 0.923913
43 IRC 0.796875 0.988372
44 3CP 0.796875 0.977012
45 CA8 0.796875 0.885417
46 BYC 0.796875 0.977012
47 COW 0.796875 0.965909
48 2KQ 0.796875 0.955056
49 COF 0.796875 0.955056
50 HGG 0.796875 0.977012
51 1GZ 0.796875 0.965909
52 4CA 0.790698 0.965909
53 FAQ 0.790698 0.977012
54 BCA 0.790698 0.965909
55 GRA 0.784615 0.977012
56 HXC 0.784615 0.955056
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 1CZ 0.772727 0.965909
60 CO8 0.772727 0.955056
61 S0N 0.772727 0.954545
62 2NE 0.772727 0.955056
63 CIC 0.772727 0.977012
64 0FQ 0.766917 0.977012
65 ST9 0.766917 0.955056
66 4CO 0.766917 0.965909
67 UCC 0.766917 0.955056
68 MFK 0.766917 0.955056
69 DCC 0.766917 0.955056
70 MYA 0.766917 0.955056
71 5F9 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 CS8 0.755556 0.944444
75 WCA 0.755556 0.955056
76 4KX 0.75 0.944444
77 UOQ 0.75 0.955056
78 NHW 0.75 0.955056
79 HDC 0.75 0.955056
80 NHM 0.75 0.955056
81 HFQ 0.744526 0.955056
82 MRS 0.744526 0.955056
83 MRR 0.744526 0.955056
84 DAK 0.73913 0.944444
85 YNC 0.73913 0.965909
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 1HA 0.713287 0.955056
89 01K 0.708333 0.977012
90 COT 0.703448 0.977012
91 CCQ 0.695652 0.934066
92 CA3 0.693878 0.977012
93 CA5 0.671053 0.934066
94 UCA 0.666667 0.955056
95 93P 0.666667 0.965909
96 CO7 0.664234 0.977012
97 93M 0.64557 0.965909
98 OXT 0.634146 0.913979
99 5TW 0.607143 0.913979
100 4BN 0.607143 0.913979
101 PAP 0.603604 0.811765
102 JBT 0.598837 0.894737
103 BSJ 0.592814 0.944444
104 HMG 0.581081 0.943182
105 COA MYR 0.573333 0.922222
106 PLM COA 0.573333 0.922222
107 COA PLM 0.573333 0.922222
108 A3P 0.54955 0.8
109 PPS 0.547009 0.752688
110 0WD 0.521739 0.788889
111 RFC 0.490683 0.955056
112 SFC 0.490683 0.955056
113 191 0.490196 0.865979
114 3AM 0.482143 0.788235
115 PTJ 0.48062 0.872093
116 ACE SER ASP ALY THR NH2 COA 0.478261 0.932584
117 4PS 0.477477 0.682353
118 A22 0.468254 0.813953
119 A2D 0.465517 0.802326
120 PUA 0.462585 0.820225
121 PAJ 0.460938 0.883721
122 AGS 0.459016 0.806818
123 SAP 0.459016 0.806818
124 ATR 0.459016 0.8
125 3OD 0.458015 0.825581
126 ADP 0.453782 0.823529
127 A2R 0.448819 0.813953
128 BA3 0.445378 0.802326
129 NA7 0.442748 0.858824
130 OAD 0.442748 0.825581
131 ATP 0.442623 0.823529
132 AP5 0.441667 0.802326
133 B4P 0.441667 0.802326
134 APR 0.439024 0.802326
135 5FA 0.439024 0.823529
136 2A5 0.439024 0.847059
137 AQP 0.439024 0.823529
138 AR6 0.439024 0.802326
139 AN2 0.438017 0.813953
140 48N 0.435714 0.808989
141 M33 0.434426 0.813953
142 SRP 0.429688 0.837209
143 ANP 0.428571 0.804598
144 ADQ 0.427481 0.804598
145 YLB 0.426573 0.908046
146 YLP 0.425532 0.886364
147 5AL 0.425197 0.813953
148 7D3 0.425 0.793103
149 AD9 0.424 0.804598
150 APU 0.423611 0.786517
151 7D4 0.422764 0.793103
152 CA0 0.422764 0.804598
153 25L 0.422222 0.813953
154 ATF 0.421875 0.795455
155 NJP 0.421769 0.806818
156 A2P 0.421488 0.788235
157 A A A 0.421053 0.813953
158 8QN 0.419847 0.813953
159 PNS 0.419643 0.682353
160 ACP 0.419355 0.825581
161 NDP 0.417808 0.788889
162 ACQ 0.417323 0.825581
163 A1R 0.416667 0.882353
164 ATP A A A 0.416058 0.770115
165 A 0.415254 0.8
166 AMP 0.415254 0.8
167 FYA 0.414815 0.813953
168 1ZZ 0.414815 0.842697
169 TXA 0.414815 0.816092
170 NB8 0.414815 0.808989
171 AHX 0.413534 0.829545
172 DLL 0.413534 0.793103
173 00A 0.413534 0.758242
174 PAX 0.412903 0.793478
175 OMR 0.409722 0.853933
176 25A 0.409091 0.802326
177 OOB 0.409091 0.793103
178 NPW 0.408163 0.822222
179 WAQ 0.407407 0.860465
180 A A 0.407407 0.781609
181 TAT 0.40625 0.816092
182 4AD 0.406015 0.827586
183 AMO 0.406015 0.837209
184 YAP 0.405797 0.806818
185 FA5 0.405797 0.816092
186 TXP 0.405405 0.829545
187 ABM 0.404959 0.781609
188 PRX 0.404762 0.825581
189 ME8 0.404412 0.842697
190 BIS 0.404412 0.818182
191 AFH 0.404255 0.78022
192 J7V 0.403846 0.778947
193 NAI 0.402778 0.777778
194 ODP 0.402685 0.78022
195 ADX 0.4 0.752688
196 SRA 0.4 0.784091
197 AU1 0.4 0.804598
Ligand no: 2; Ligand: A12; Similar ligands found: 331
No: Ligand ECFP6 Tc MDL keys Tc
1 AP2 1 1
2 A12 1 1
3 APC 0.821918 1
4 RBY 0.810811 0.972973
5 ADV 0.810811 0.972973
6 AMP 0.808824 0.931507
7 A 0.808824 0.931507
8 ACP 0.808219 0.986301
9 ABM 0.774648 0.881579
10 A2D 0.774648 0.932432
11 AMP MG 0.760563 0.857143
12 BA3 0.753425 0.932432
13 SRA 0.746479 0.883117
14 B4P 0.743243 0.932432
15 ADP 0.743243 0.958904
16 AP5 0.743243 0.932432
17 AN2 0.733333 0.945946
18 M33 0.723684 0.92
19 ADX 0.723684 0.841463
20 CA0 0.723684 0.907895
21 AU1 0.723684 0.933333
22 ACQ 0.721519 0.986301
23 50T 0.714286 0.92
24 ATP 0.714286 0.958904
25 APR 0.705128 0.932432
26 AR6 0.705128 0.932432
27 5FA 0.705128 0.958904
28 PRX 0.705128 0.858974
29 AQP 0.705128 0.958904
30 ADP MG 0.701299 0.87013
31 ADP PO3 0.696203 0.905405
32 AGS 0.696203 0.909091
33 AD9 0.696203 0.933333
34 SAP 0.696203 0.909091
35 BEF ADP 0.692308 0.848101
36 ADP BEF 0.692308 0.848101
37 SON 0.688312 0.946667
38 ATP MG 0.6875 0.87013
39 TAT 0.679012 0.921053
40 ANP 0.679012 0.933333
41 GAP 0.679012 0.858974
42 5AL 0.670732 0.894737
43 ATF 0.662651 0.921053
44 SRP 0.654762 0.896104
45 AMO 0.643678 0.921053
46 4AD 0.643678 0.909091
47 ALF ADP 0.642857 0.8375
48 ADP ALF 0.642857 0.8375
49 DAL AMP 0.639535 0.87013
50 MAP 0.639535 0.909091
51 A22 0.639535 0.945946
52 VO4 ADP 0.635294 0.894737
53 ADP VO4 0.635294 0.894737
54 ANP MG 0.635294 0.860759
55 ADN 0.632353 0.810811
56 RAB 0.632353 0.810811
57 XYA 0.632353 0.810811
58 8QN 0.632184 0.894737
59 5SV 0.632184 0.839506
60 OOB 0.632184 0.894737
61 25A 0.632184 0.932432
62 TAD 0.631579 0.923077
63 ADQ 0.625 0.907895
64 A1R 0.625 0.922078
65 PAJ 0.625 0.851852
66 AOC 0.623377 0.789474
67 DLL 0.617977 0.894737
68 AHX 0.617977 0.886076
69 00A 0.617977 0.85
70 5N5 0.614286 0.786667
71 5AS 0.6125 0.752809
72 3UK 0.611111 0.883117
73 OAD 0.611111 0.907895
74 5CD 0.605634 0.773333
75 A4D 0.605634 0.786667
76 PR8 0.604396 0.864198
77 WAQ 0.604396 0.897436
78 LAD 0.604396 0.875
79 1ZZ 0.597826 0.831325
80 ME8 0.597826 0.831325
81 3OD 0.597826 0.907895
82 BIS 0.597826 0.897436
83 TXA 0.597826 0.896104
84 FYA 0.597826 0.894737
85 PTJ 0.597826 0.8625
86 NB8 0.597826 0.886076
87 M2T 0.594595 0.707317
88 ADP BMA 0.593407 0.883117
89 MYR AMP 0.591398 0.809524
90 25L 0.591398 0.945946
91 A A 0.586957 0.906667
92 9SN 0.585106 0.839506
93 EP4 0.581081 0.725
94 JB6 0.580645 0.873418
95 A3P 0.580247 0.931507
96 YAP 0.578947 0.884615
97 7D5 0.578947 0.868421
98 ATP A A A 0.578947 0.893333
99 FA5 0.578947 0.896104
100 DTA 0.573333 0.779221
101 TYR AMP 0.572917 0.848101
102 XAH 0.572917 0.853659
103 AFH 0.571429 0.875
104 3DH 0.571429 0.74359
105 G5A 0.569767 0.772727
106 4TC 0.568627 0.910256
107 4UV 0.56701 0.860759
108 MTA 0.565789 0.74359
109 UP5 0.564356 0.884615
110 3AM 0.564103 0.891892
111 G3A 0.561224 0.886076
112 A2P 0.560976 0.917808
113 DZD 0.560748 0.923077
114 LAQ 0.56 0.831325
115 4UU 0.555556 0.860759
116 G5P 0.555556 0.886076
117 LPA AMP 0.554455 0.809524
118 AMP DBH 0.55102 0.858974
119 A5A 0.550562 0.77907
120 GTA 0.55 0.853659
121 6RE 0.55 0.753086
122 TSB 0.549451 0.790698
123 NAX 0.54902 0.864198
124 4UW 0.54902 0.829268
125 S4M 0.548781 0.681818
126 ARG AMP 0.544554 0.821429
127 AHZ 0.544554 0.788235
128 SSA 0.544444 0.793103
129 PAP 0.54023 0.945205
130 7MD 0.54 0.853659
131 AR6 AR6 0.54 0.881579
132 YLP 0.539216 0.833333
133 48N 0.539216 0.886076
134 54H 0.538462 0.761364
135 VMS 0.538462 0.761364
136 52H 0.538462 0.752809
137 ZAS 0.5375 0.7375
138 A3N 0.536585 0.75641
139 J7C 0.536585 0.7625
140 IMO 0.536585 0.891892
141 NXX 0.533981 0.896104
142 NAI 0.533981 0.873418
143 TXD 0.533981 0.873418
144 DND 0.533981 0.896104
145 6V0 0.533981 0.8625
146 53H 0.532609 0.752809
147 5CA 0.532609 0.793103
148 2AM 0.531646 0.905405
149 7D3 0.53012 0.894737
150 TYM 0.528846 0.896104
151 AF3 ADP 3PG 0.528846 0.829268
152 TXE 0.528846 0.873418
153 ALF ADP 3PG 0.528846 0.829268
154 OMR 0.528846 0.843373
155 LA8 ALF 3PG 0.528846 0.829268
156 2A5 0.528736 0.907895
157 GP2 0.52809 0.923077
158 V3L 0.52809 0.932432
159 DSH 0.52439 0.740741
160 AP0 0.52381 0.8625
161 UPA 0.52381 0.873418
162 YLB 0.52381 0.833333
163 MAO 0.52381 0.77381
164 YLC 0.52381 0.853659
165 7D4 0.523256 0.894737
166 ATR 0.522727 0.931507
167 PPS 0.522222 0.841463
168 DSZ 0.521277 0.793103
169 LSS 0.521277 0.755556
170 NSS 0.521277 0.793103
171 P5A 0.520833 0.758242
172 A4P 0.518868 0.813953
173 5X8 0.517241 0.75641
174 NVA LMS 0.515789 0.736264
175 IOT 0.514019 0.845238
176 5AD 0.513889 0.716216
177 OVE 0.512195 0.87013
178 GJV 0.511905 0.743902
179 LEU LMS 0.510417 0.736264
180 7MC 0.509434 0.833333
181 139 0.509259 0.864198
182 ADJ 0.509259 0.843373
183 YLA 0.509259 0.833333
184 T5A 0.509259 0.855422
185 ITT 0.505747 0.905405
186 A2R 0.505376 0.945946
187 GSU 0.505155 0.772727
188 KAA 0.505155 0.766667
189 CNA 0.504587 0.896104
190 AYB 0.504587 0.823529
191 SFG 0.5 0.766234
192 6C6 0.5 0.896104
193 NAD 0.495495 0.894737
194 COD 0.495495 0.825581
195 BTX 0.495495 0.855422
196 4TA 0.495495 0.821429
197 YSA 0.49505 0.772727
198 SMM 0.494624 0.701149
199 SAM 0.494505 0.705882
200 A7D 0.494253 0.792208
201 BT5 0.491071 0.845238
202 SA8 0.488889 0.722892
203 A5D 0.488889 0.779221
204 MHZ 0.488636 0.712644
205 71V 0.488372 0.873418
206 A3G 0.488095 0.792208
207 M24 0.486957 0.819277
208 Y3J 0.486842 0.697368
209 A3D 0.486726 0.883117
210 7D7 0.486486 0.736842
211 NAD IBO 0.486486 0.8375
212 SAH 0.483516 0.759494
213 SAI 0.483516 0.75
214 G A A A 0.482143 0.839506
215 PO4 PO4 A A A A PO4 0.479592 0.866667
216 S7M 0.478723 0.705882
217 6IA 0.478261 0.829268
218 3AT 0.478261 0.958904
219 YLY 0.474138 0.823529
220 6AD 0.473118 0.875
221 EEM 0.473118 0.705882
222 PGS 0.47191 0.85
223 7C5 0.471154 0.7875
224 DA 0.470588 0.893333
225 NEC 0.470588 0.717949
226 D5M 0.470588 0.893333
227 NAE 0.470085 0.860759
228 NIA 0.46988 0.792683
229 NAJ PZO 0.469565 0.817073
230 2SA 0.468085 0.921053
231 AV2 0.468085 0.881579
232 NAQ 0.466102 0.839506
233 NAJ PYZ 0.466102 0.819277
234 AAM 0.465116 0.931507
235 U A G G 0.464912 0.85
236 NA7 0.464646 0.972973
237 A A A 0.464646 0.92
238 GEK 0.463918 0.753086
239 A U 0.463636 0.8375
240 C2R 0.463415 0.868421
241 AMZ 0.463415 0.88
242 4YB 0.462264 0.755556
243 ZID 0.462185 0.883117
244 N0B 0.462185 0.833333
245 AMP NAD 0.462185 0.848101
246 3AD 0.461538 0.797297
247 A3S 0.460674 0.802632
248 101 0.458824 0.868421
249 WSA 0.458716 0.781609
250 Z5A 0.458333 0.772727
251 AAT 0.457447 0.722892
252 AIR 0.455696 0.864865
253 ARU 0.454545 0.829268
254 EAD 0.454545 0.841463
255 GGZ 0.453608 0.795181
256 A3T 0.450549 0.789474
257 DAT 0.450549 0.92
258 A6D 0.45 0.717647
259 AVV 0.44898 0.910256
260 6K6 0.44898 0.893333
261 DTP 0.446809 0.92
262 649 0.445455 0.758242
263 0UM 0.444444 0.714286
264 8BR 0.443182 0.871795
265 NDE 0.44 0.896104
266 P1H 0.44 0.821429
267 N6P 0.44 0.878378
268 62X 0.44 0.681818
269 G2P 0.438776 0.923077
270 K15 0.435644 0.697674
271 S8M 0.434343 0.775
272 V1N 0.433962 0.881579
273 FB0 0.433071 0.83908
274 NDC 0.433071 0.8625
275 7RA 0.431818 0.918919
276 AS 0.431818 0.848101
277 QQY 0.430233 0.78481
278 ACK 0.430233 0.826667
279 CC5 0.428571 0.808219
280 GCP 0.428571 0.910256
281 SXZ 0.427184 0.72619
282 FDA 0.426357 0.825581
283 PLP AAD 0.423729 0.736264
284 KB1 0.423077 0.714286
285 6FA 0.423077 0.833333
286 TM1 0.423077 0.747126
287 NJP 0.422414 0.909091
288 2BA 0.422222 0.878378
289 CMP 0.422222 0.864865
290 7RP 0.420455 0.890411
291 2VA 0.419355 0.769231
292 0WD 0.418803 0.886076
293 QQX 0.418605 0.775
294 NPW 0.417391 0.876543
295 DDS 0.416667 0.868421
296 FAD 0.416667 0.843373
297 FAS 0.416667 0.843373
298 SFD 0.416667 0.729167
299 RMB 0.41573 0.837838
300 RP1 0.413793 0.810127
301 1RB 0.413793 0.849315
302 SP1 0.413793 0.810127
303 7DD 0.413043 0.945205
304 ANZ 0.412844 0.771084
305 APU 0.412281 0.860759
306 FAY 0.411765 0.853659
307 ODP 0.410256 0.875
308 D3Y 0.41 0.782051
309 U G A 0.409091 0.809524
310 5GP 0.408602 0.871795
311 G 0.408602 0.871795
312 SLU 0.408333 0.744444
313 U A C C 0.408333 0.82716
314 U A A U 0.408 0.873418
315 3L1 0.407407 0.789474
316 3D1 0.407407 0.789474
317 SO8 0.40625 0.759494
318 VRT 0.40625 0.7625
319 NDP 0.405172 0.886076
320 FNK 0.404412 0.797753
321 62F 0.404412 0.853659
322 3NZ 0.403846 0.775
323 26A 0.402439 0.734177
324 2FA 0.402439 0.782051
325 RGT 0.401869 0.921053
326 TXP 0.401709 0.886076
327 NZQ 0.401709 0.898734
328 P2P 0.4 0.866667
329 7DT 0.4 0.945205
330 FAI 0.4 0.88
331 NAD BBN 0.4 0.811765
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XYM; Ligand: COA; Similar sites found: 130
This union binding pocket(no: 1) in the query (biounit: 4xym.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1X14 NAD 0.003347 0.44676 2.17391
2 1ZH8 NAP 0.001965 0.42762 2.17391
3 1P77 ATR 0.03019 0.42156 2.80172
4 1J49 NAD 0.0002871 0.4583 3.04348
5 5LD5 NAD 0.001532 0.4444 3.04348
6 3OND ADN 0.0001757 0.41367 3.04348
7 3OND NAD 0.0001757 0.41367 3.04348
8 1U3U BNF 0.001204 0.40144 3.04348
9 1U3U NAD 0.001204 0.40144 3.04348
10 2EG5 SAH 0.02811 0.40848 3.23276
11 1ZMD NAI 0.009816 0.40399 3.44828
12 1EZ4 NAD 0.0003745 0.46025 3.45912
13 3JV7 NAD 0.0008233 0.43708 3.47826
14 2D2I NAP 0.005202 0.42125 3.47826
15 1Z82 NDP 0.008366 0.40198 3.58209
16 1JG3 ADN 0.01049 0.41967 3.82979
17 2FZW NAD 0.000227 0.43117 3.87931
18 5KVS NAP 0.000133 0.48654 3.91304
19 3ICT ADP 0.002509 0.46564 3.91304
20 1BW9 NAD 0.002586 0.43772 3.91304
21 2HK9 ATR 0.01501 0.42978 3.91304
22 5KVS 6XR 0.0008029 0.4293 3.91304
23 3KB6 NAD 0.002293 0.42489 3.91304
24 3MAN BMA BMA MAN 0.03112 0.42412 3.91304
25 4DPL NAP 0.001993 0.42195 3.91304
26 2HK9 NAP 0.00529 0.41266 3.91304
27 1C1X NAD 0.006647 0.40855 3.91304
28 1F8G NAD 0.0167 0.40168 4.16667
29 1CDO NAD 0.00074 0.44802 4.27807
30 2NXE SAM 0.002992 0.4453 4.34783
31 1OBB NAD 0.006124 0.41535 4.34783
32 4MDH NAD 0.005694 0.4088 4.34783
33 5MDH NAD 0.006162 0.4074 4.34783
34 4XDY NAI 0.01011 0.40099 4.34783
35 3OA2 NAD 0.002616 0.41988 4.40252
36 1GQ2 NAP 0.0007791 0.44094 4.78261
37 3VYW SAM 0.01852 0.40233 4.78261
38 1PZG A3D 0.001082 0.41482 4.83384
39 3GGO NAI 0.0005701 0.4166 5.09554
40 3GGO ENO 0.0005701 0.4166 5.09554
41 2PV7 NAD 0.00002666 0.50357 5.21739
42 1MUU NAD 0.0002024 0.47495 5.21739
43 1MV8 NAD 0.0001959 0.47188 5.21739
44 1HYH NAD 0.0004497 0.44445 5.21739
45 3WLE NAD 0.0004876 0.42957 5.21739
46 2Q0L NAP 0.01465 0.41927 5.21739
47 5UAV NDP 0.00004759 0.43622 5.2795
48 5UAV TFB 0.00004759 0.43622 5.2795
49 2G5C NAD 0.0002345 0.45855 5.33808
50 5U5G NAP 0.003727 0.41373 5.42373
51 1O5I NAD 0.01643 0.40752 5.62249
52 3NJ4 NAD 0.001003 0.44804 5.65217
53 1V59 NAD 0.005974 0.4464 5.65217
54 3NJ4 AFX 0.002217 0.4347 5.65217
55 5M67 NAD 0.0002621 0.43426 5.65217
56 5M67 ADE 0.0002677 0.43394 5.65217
57 5M67 3D1 0.0002706 0.43378 5.65217
58 3A9Y CYS 0.0304 0.42139 5.65217
59 2DBZ NAP 0.002818 0.41859 5.65217
60 1CER NAD 0.005006 0.41366 5.65217
61 1E5Q NDP 0.005515 0.4069 5.65217
62 1VM6 NAD 0.001238 0.44188 5.70175
63 3GFB NAD 0.0008182 0.4431 5.71429
64 1X87 NAD 0.002317 0.43657 5.81897
65 2AOT SAH 0.004586 0.44401 6.08696
66 1S4P GDP 0.03241 0.40865 6.08696
67 1U8X NAD 0.009602 0.40192 6.08696
68 3QV1 NAD 0.006691 0.41102 6.09756
69 4D3F NAP 0.000271 0.48116 6.52174
70 5KKA 6V0 0.000159 0.4588 6.52174
71 3FIU POP 0.04072 0.41507 6.52174
72 4JK3 NAD 0.0004152 0.4584 6.56371
73 3ABI NAD 0.002709 0.4167 6.57534
74 1NVM NAD 0.0001925 0.45873 6.73077
75 4RDH AMP 0.002479 0.45708 6.94444
76 2GV8 NDP 0.008253 0.40978 6.95652
77 2CDC XYP 0.00488 0.40086 7.11207
78 3EGI ADP 0.03071 0.42115 7.28155
79 4YCA NDP 0.00004468 0.49842 7.32759
80 1D1T NAD 0.0004575 0.44128 7.82609
81 4DMG SAM 0.02833 0.41167 7.82609
82 4D79 ATP 0.0008192 0.47171 7.97101
83 2VYN NAD 0.005316 0.40754 8.08383
84 1OMO NAD 0.00005918 0.50159 8.26087
85 1WDK NAD 0.0001413 0.48948 8.26087
86 1GUZ NAD 0.0002033 0.46429 8.26087
87 5DN9 NAD 0.002317 0.41199 8.51648
88 2F1K NAP 0.0002967 0.46443 8.60215
89 3VPH NAD 0.0003597 0.44241 9.03226
90 3VPH OXM 0.0004701 0.4327 9.03226
91 2HJR APR 0.0001147 0.49342 9.56522
92 1WP4 NDP 0.0003329 0.45898 9.56522
93 2CVZ NDP 0.001072 0.44136 9.56522
94 1KYQ NAD 0.0004635 0.48787 9.85401
95 1LJ8 NAD 0.0004837 0.47001 10
96 1M2W NAD 0.0005423 0.46405 10
97 3DXY SAM 0.01258 0.42983 10.0917
98 1PVS 7HP 0.03103 0.40769 10.2837
99 4K28 NAD 0.0000346 0.50721 10.4089
100 1LLU NAD 0.000578 0.43201 10.4348
101 4II2 ATP 0.01052 0.4135 10.4348
102 3G89 SAM 0.0111 0.4288 10.8696
103 3OJO NAD 0.00007387 0.50174 11.3043
104 5GZ6 NDP 0.00402 0.43242 11.3043
105 3NGL NAP 0.00658 0.42274 11.3043
106 5GZ6 7C3 0.005122 0.42155 11.3043
107 1Y8Q ATP 0.011 0.40442 11.3043
108 1LSS NAD 0.003999 0.43253 12.1429
109 3V1Y NAD 0.00236 0.42718 12.1662
110 2VHW NAI 0.0003268 0.43582 12.1739
111 2DT5 NAD 0.00002235 0.50265 12.3223
112 1NPD NAD 0.007331 0.41199 12.5
113 1DJN ADP 0.01564 0.40034 12.6087
114 1L7N AF3 0.03403 0.4054 12.7155
115 1I36 NAP 0.0003945 0.47394 13.4783
116 5L95 AMP 0.00367 0.43759 13.4783
117 2VT3 ATP 0.000006644 0.59708 13.4884
118 1GAW FAD 0.03799 0.40185 13.913
119 1YJQ NAP 0.0003283 0.40152 13.913
120 5OFW 9TW 0.002371 0.48199 14.3498
121 5JE8 NAD 0.00001128 0.52767 15.2174
122 2EJU SAH 0.0123 0.41641 16.087
123 5N53 8NB 0.003375 0.47571 16.4103
124 1FK8 NAD 0.006264 0.41222 19.0661
125 1NVT NAP 0.005434 0.41757 19.8606
126 3EGV SAH 0.00546 0.43657 20.4082
127 5CAE COA 0.000002983 0.55708 27.7955
128 5CAE SIN 0.000007242 0.50616 27.7955
129 2D5A COA 0.00002398 0.52301 34.7222
130 3Q9N COA 0.00004356 0.4081 34.7518
Pocket No.: 2; Query (leader) PDB : 4XYM; Ligand: A12; Similar sites found: 298
This union binding pocket(no: 2) in the query (biounit: 4xym.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AWM ANP 0.0006806 0.46819 2.17391
2 5DMZ ADP 0.002887 0.42051 2.17391
3 2IF8 ADP 0.0005038 0.48687 2.20386
4 4WNP 3RJ 0.0005862 0.46577 2.43902
5 3WVR AMP 0.0003564 0.47046 2.6087
6 3W9F I3P 0.01223 0.43666 2.6087
7 1ZY5 ANP 0.001567 0.42063 2.6087
8 4CQE CQE 0.001864 0.41219 2.6087
9 4XV1 904 0.003956 0.42959 2.73973
10 3TKI S25 0.007233 0.43425 2.78638
11 2HY0 306 0.008195 0.41185 2.79503
12 5IGI GMP 0.003401 0.43623 3.04348
13 5IGI ZIT 0.003601 0.43623 3.04348
14 1Y57 MPZ 0.002627 0.40037 3.04348
15 5X8I SQZ 0.0015 0.43299 3.17919
16 2X2M X2M 0.008508 0.40011 3.18471
17 1XJD STU 0.0007358 0.44219 3.18841
18 2RIO ADP 0.0009599 0.42846 3.22581
19 1TZD ADP 0.0007301 0.47152 3.27273
20 3AKK ADP 0.001087 0.43492 3.38462
21 1RE8 BD2 0.0007754 0.47495 3.47826
22 4QTB 38Z 0.0009317 0.45237 3.47826
23 4WB6 ATP 0.000798 0.45212 3.47826
24 3TXO 07U 0.0004078 0.43766 3.47826
25 2WU6 DKI 0.0004066 0.43224 3.47826
26 3WO0 ALA 0.02759 0.42055 3.47826
27 3WO0 ADP 0.02759 0.42055 3.47826
28 4L9I 8PR 0.009687 0.40087 3.47826
29 4BKJ STI 0.004918 0.4155 3.49206
30 2H8H H8H 0.005332 0.4088 3.5514
31 2GU8 796 0.003173 0.45309 3.56083
32 4E1Z 0MX 0.0006864 0.4251 3.66379
33 4JR7 GNP 0.0004593 0.45554 3.74332
34 5VCV 1N1 0.001303 0.40611 3.85852
35 3UDZ ADP 0.0007675 0.44141 3.87931
36 5MY8 RXZ 0.002076 0.43207 3.87931
37 5UIU 8CG 0.008302 0.41111 3.87931
38 3V8S 0HD 0.0007439 0.45095 3.90244
39 4AZW ATP 0.0001433 0.475 3.91304
40 1EHI ADP 0.0001933 0.46711 3.91304
41 2PVF ACP 0.0005909 0.45544 3.91304
42 4AZT LY2 0.001609 0.45018 3.91304
43 1PHK ATP 0.0005563 0.44741 3.91304
44 3RI1 3RH 0.001107 0.44582 3.91304
45 4CLI 5P8 0.005716 0.43208 3.91304
46 3F7Z 34O 0.00147 0.42518 3.91304
47 2GQS ADP 0.005093 0.41344 3.91304
48 4OUC 5ID 0.006595 0.41223 3.91304
49 1OBD ATP 0.0001826 0.44926 3.92157
50 3C0G 3AM 0.0006557 0.46348 4.09483
51 3PE2 E1B 0.0004779 0.48487 4.1543
52 5LXC 7AA 0.0006453 0.4298 4.16667
53 5LVP ATP 0.001697 0.41122 4.18006
54 2Q7D ANP 0.00004223 0.44945 4.31034
55 3RFA SAM 0.005616 0.40781 4.31034
56 4FE2 ADP 0.008235 0.41175 4.31373
57 3X01 AMP 0.0001777 0.51359 4.3257
58 3VOT ADP 0.000008528 0.55983 4.34783
59 4DFU QUE 0.0001786 0.50974 4.34783
60 1IA9 ANP 0.00008674 0.48205 4.34783
61 3ORQ ADP 0.00008076 0.47531 4.34783
62 4IX4 ADP 0.0003183 0.46004 4.34783
63 5MW8 ATP 0.0004937 0.45587 4.34783
64 5A6N U7E 0.0007322 0.44229 4.34783
65 1OUK 084 0.01789 0.43748 4.34783
66 4YZC STU 0.003467 0.43584 4.34783
67 2B9J ADP 0.001836 0.43335 4.34783
68 1TQP ATP 0.0004925 0.42622 4.34783
69 4FG8 ATP 0.002642 0.42033 4.34783
70 2B9F ADP 0.002007 0.41921 4.34783
71 5UR1 YY9 0.01034 0.41902 4.34783
72 2B9I ADP 0.003427 0.41724 4.34783
73 1CM8 ANP 0.001701 0.41696 4.34783
74 2B9H ADP 0.003422 0.41353 4.34783
75 5FBN 5WF 0.01546 0.40367 4.42804
76 2QCS ANP 0.0007912 0.45229 4.46735
77 4XLI 1N1 0.001213 0.44142 4.47761
78 1JPA ANP 0.0003509 0.49008 4.48718
79 2HGS ADP 0.005716 0.43751 4.52586
80 4K33 ACP 0.0009765 0.43692 4.61538
81 5C4L 4XR 0.0001689 0.48888 4.6729
82 5C4L SIS 0.001255 0.44953 4.6729
83 3KRR DQX 0.0008319 0.48684 4.74576
84 4D4U FUC NDG GAL FUC 0.008317 0.42801 4.7619
85 5U6C 7YS 0.001066 0.4222 4.7619
86 4U98 ACP 0.00002628 0.51608 4.78261
87 4IJP 1EH 0.0003911 0.45618 4.78261
88 4L3L 5FI 0.0009177 0.45419 4.78261
89 5C03 AGS 0.0006918 0.44774 4.78261
90 4IDT T28 0.002592 0.42661 4.78261
91 5HES 032 0.003012 0.41975 4.78261
92 2AQX ATP 0.002647 0.40787 4.78261
93 4YZN 4K5 0.002366 0.40457 4.78261
94 2HK5 1BM 0.001626 0.42944 4.81482
95 2Z7R STU 0.0006939 0.43117 4.98442
96 4WOV 3SM 0.005637 0.41952 5.04732
97 4AU8 Z3R 0.003892 0.43168 5.06757
98 5T8O 76Z 0.0008611 0.4319 5.15759
99 4Y0X ADP 0.000008881 0.50429 5.21739
100 2PZI AXX 0.0002168 0.48608 5.21739
101 4UWH JXM 0.002163 0.4345 5.21739
102 4RDL FUC GAL NDG FUC 0.008359 0.42733 5.21739
103 3Q60 ATP 0.004768 0.41473 5.21739
104 4OTH DRN 0.001914 0.41397 5.21739
105 5IQD GNP 0.0008482 0.464 5.2459
106 5IQD RIO 0.0009436 0.46311 5.2459
107 4LRJ ANP 0.000725 0.43343 5.32544
108 4K55 H6P 0.01975 0.41411 5.38793
109 3GC0 AMP 0.0004782 0.46993 5.47112
110 4KS7 X4Z 0.0008654 0.42137 5.47945
111 4OCV ANP 0.0001083 0.47791 5.5409
112 4X5S AZM 0.02469 0.40384 5.60345
113 3I0O ADP 0.00006127 0.51857 5.60472
114 4BTK DTQ 0.0007661 0.43672 5.63798
115 5EFQ ADP 0.0002151 0.45942 5.65217
116 5LPZ ADP 0.0004353 0.45657 5.65217
117 1I7L ATP 0.00008059 0.45261 5.65217
118 3GGF GVD 0.001478 0.44209 5.65217
119 3OFM 4B0 0.0003767 0.43146 5.65217
120 4O4F ATP 0.0003933 0.42242 5.65217
121 4X7Q 3YR 0.002703 0.42177 5.65217
122 4USF 6UI 0.003712 0.41928 5.65217
123 4O4F IHP 0.0004315 0.41562 5.65217
124 4WOE ADP 0.02005 0.40668 5.65217
125 4J25 OGA 0.0135 0.41579 5.67686
126 4BFM ANP 0.00118 0.42743 5.68862
127 4GLW 0XT 0.0004093 0.41613 5.90164
128 5AX9 4KT 0.002668 0.42201 6.03448
129 3O0G 3O0 0.001176 0.42327 6.04027
130 5M06 ADP 0.0003979 0.46827 6.08696
131 3DLS ADP 0.00009272 0.46058 6.08696
132 2XMY CDK 0.003696 0.45586 6.08696
133 1BYG STU 0.001319 0.44436 6.08696
134 4U44 3D9 0.0008098 0.43512 6.08696
135 3UIM ANP 0.001385 0.43451 6.08696
136 4AUA 4AU 0.005539 0.4118 6.08696
137 5JKG 6LF 0.008431 0.41912 6.10932
138 4NFN 2KC 0.0003045 0.46835 6.14887
139 5JFS 6K0 0.006616 0.42611 6.16883
140 4I6H 1C8 0.004266 0.41306 6.16883
141 3NW7 LGV 0.01551 0.41343 6.18893
142 4YMJ 4EJ 0.0002063 0.50981 6.25
143 2D6M LBT 0.02293 0.40083 6.28931
144 1K3A ACP 0.001087 0.45316 6.35452
145 3FHI ANP 0.0009716 0.44833 6.49351
146 1ZP9 ATP 0.005189 0.41703 6.52174
147 1ZTH ADP 0.002837 0.4019 6.52174
148 5MJA 7O3 0.001997 0.40738 6.55738
149 2QLU ADE 0.004825 0.43053 6.6879
150 5A5W GUO 0.02321 0.40155 6.71937
151 3ETH ATP 0.00001648 0.51802 6.76056
152 1XK5 TPG 0.01172 0.41781 6.86275
153 5GZ9 ANP 0.001914 0.43016 6.95652
154 3KMW ATP 0.0001467 0.48257 7.01107
155 3GQI ACP 0.003775 0.41539 7.07965
156 2VPQ ANP 0.0001036 0.4855 7.09534
157 1WEI ADE 0.004126 0.44781 7.11111
158 3GC8 B45 0.002237 0.40927 7.2973
159 4OCJ NDG 0.0002308 0.49136 7.3913
160 4XH0 ADP 0.001048 0.47284 7.3913
161 4KBA 1QM 0.003793 0.43711 7.3913
162 3TDV GDP 0.002409 0.42396 7.3913
163 3KAL ADP 0.00006015 0.41146 7.3913
164 3W0O ADP 0.0003885 0.40012 7.3913
165 3W0O HY0 0.0003885 0.40012 7.3913
166 4LH7 1X8 0.001057 0.47977 7.43034
167 2P3I MNA 0.01306 0.4187 7.45342
168 3HZT J60 0.0006621 0.46877 7.5431
169 1UNH IXM 0.001234 0.45057 7.5431
170 2QX0 PH2 0.02567 0.40207 7.54717
171 5CEO 50D 0.002284 0.41605 7.66667
172 4BPZ GLC BGC BGC 0.02068 0.40053 7.8125
173 2PYW ADP 0.0001529 0.47379 7.82609
174 2PUL ACP 0.0002492 0.47225 7.82609
175 4CFU 2WC 0.0007946 0.45448 7.82609
176 3LXN MI1 0.0004138 0.44574 7.82609
177 3PLS ANP 0.001259 0.4407 7.82609
178 4ZS4 ATP 0.001087 0.43491 8.14332
179 4BCM T7Z 0.001363 0.46493 8.26087
180 4OH4 ANP 0.0003871 0.4588 8.26087
181 3MVH WFE 0.0007581 0.45792 8.26087
182 4IZY 1J2 0.0002609 0.45401 8.26087
183 1Q8Y ADP 0.0004582 0.45321 8.26087
184 1Q8Y ADE 0.00006166 0.4503 8.26087
185 4UX9 ANP 0.0006098 0.43935 8.26087
186 5LPB ADP 0.0002214 0.43364 8.26087
187 5EOB 5QQ 0.01139 0.42553 8.26087
188 3TPV ADE 0.002011 0.42344 8.26087
189 3KN5 ANP 0.00107 0.41789 8.26087
190 2PVN P63 0.0003546 0.40893 8.26087
191 2Y6O 1N1 0.005816 0.40731 8.26087
192 2WQN ADP 0.0009001 0.45701 8.40517
193 4N70 2HX 0.0008162 0.47592 8.53659
194 3K5I ADP 0.00006787 0.47933 8.69565
195 2CFM AMP 0.001209 0.45616 8.69565
196 1PK8 ATP 0.00007602 0.44581 8.69565
197 4BHN BH9 0.001603 0.42112 8.69565
198 4Y8D 49J 0.003132 0.41896 8.69565
199 5UOX 8GY 0.001672 0.41236 8.69565
200 3K5I AIR 0.0002809 0.40049 8.69565
201 5BTX CMP 0.02476 0.40942 8.90411
202 1U5R ATP 0.0007409 0.44643 8.90805
203 1V0O INR 0.004443 0.41228 9.02778
204 3PDT ADP 0.001709 0.4392 9.09091
205 4R78 AMP 0.0004492 0.48294 9.13043
206 2IO8 ADP 0.0001103 0.44699 9.13043
207 3HMO STU 0.00107 0.44386 9.13043
208 2VQD AP2 0.0004607 0.44341 9.13043
209 5CKW ANP 0.0002344 0.43664 9.13043
210 4D2S DYK 0.001846 0.40562 9.13043
211 2F57 23D 0.009637 0.40464 9.13043
212 3G5D 1N1 0.006635 0.43763 9.26724
213 5USZ SKE 0.000232 0.41956 9.34256
214 3HAV ATP 0.00005331 0.54148 9.36455
215 1W2D ADP 0.001447 0.4524 9.43396
216 4H3Q ANP 0.0009475 0.4435 9.56522
217 4H3P ANP 0.001055 0.4397 9.56522
218 4JDI ANP 0.001182 0.43543 9.56522
219 2V7O DRN 0.0002515 0.43019 9.56522
220 2VZ6 FEF 0.003726 0.42799 9.56522
221 3SLS ANP 0.001662 0.41538 9.56522
222 3SXS PP2 0.004742 0.40146 9.56522
223 2VN9 GVD 0.00167 0.40087 9.56522
224 5FI4 5XV 0.008714 0.40295 9.59752
225 4Q5H ANP 0.0001491 0.47698 9.61539
226 3DAK ANP 0.0009469 0.45098 9.65517
227 4CUB GAL NAG 0.03132 0.40507 9.83607
228 5VC5 96M 0.0009102 0.45123 10
229 5LI1 ANP 0.0005917 0.45047 10
230 5LI9 ACP 0.001678 0.42682 10
231 5I35 ANP 0.00006664 0.49795 10.4348
232 5KO1 6UY 0.0003399 0.46621 10.4348
233 5HX8 66P 0.0006187 0.40884 10.4348
234 2YAB AMP 0.0008964 0.43851 10.5603
235 4CS9 AMP 0.002893 0.44809 10.582
236 5HVJ ANP 0.0003882 0.49487 10.7937
237 4NST ADP 0.0002314 0.46861 10.8696
238 2YRX AMP 0.001321 0.46788 10.8696
239 4CC6 L5Y 0.001254 0.46089 10.8696
240 4ZGP ADP 0.004477 0.41596 10.8696
241 4A4X JUP 0.0007477 0.40636 10.8696
242 2R5T ANP 0.0006003 0.43383 10.992
243 3H9R TAK 0.004416 0.43384 11.0092
244 4F9C 0SX 0.001614 0.41886 11.0803
245 2YW2 ATP 0.000005554 0.52301 11.3043
246 5DZT AMP 0.00000125 0.48424 11.3043
247 1M0W ANP 0.00003472 0.48125 11.3043
248 1T36 ADP 0.001947 0.4365 11.3043
249 4Y85 499 0.002567 0.42681 11.3043
250 3E7S AT2 0.02156 0.40366 11.3043
251 4BCQ TJF 0.001796 0.40107 11.3043
252 5H2U 1N1 0.004886 0.41425 11.6105
253 5DA3 58V 0.001774 0.44813 11.6981
254 3M2W L8I 0.001794 0.40806 11.7057
255 4GYI ADP 0.0001487 0.49378 11.7391
256 4BCN T9N 0.0008086 0.4592 11.7391
257 4F4P 0SB 0.004704 0.44715 12.1739
258 3IDB ANP 0.001208 0.4153 12.4224
259 5LXM ADP 0.0005393 0.45722 13.0435
260 1U59 STU 0.0008374 0.4441 13.0435
261 5G1X ADP 0.001094 0.44344 13.0435
262 2A19 ANP 0.0004914 0.47501 13.1429
263 3SRV S19 0.0007777 0.43312 13.3574
264 5JZJ AN2 0.0005223 0.45784 13.4783
265 4M69 ANP 0.001898 0.41849 13.4783
266 3IGO ANP 0.002288 0.41065 13.4783
267 3GNI ATP 0.005098 0.40049 13.4897
268 3VPC ADP 0.00006784 0.46909 13.8298
269 4YLL 4E3 0.006268 0.40761 13.913
270 5LXT ACP 0.000683 0.42482 13.986
271 3VPB ADP 0.0000198 0.46646 14.2857
272 3V4S ATP 0.00005257 0.49614 14.3478
273 3V4S ADP 0.0002998 0.48345 14.3478
274 5VZ0 ADP 0.0002707 0.44882 14.3478
275 3PP0 03Q 0.00252 0.4023 14.3478
276 3TII ANP 0.001067 0.45878 14.7826
277 5K2M ADP 0.0002029 0.47474 15.0943
278 2QK4 ATP 0.000002409 0.49728 15.2174
279 3ZRM ZRM 0.0005168 0.4434 15.625
280 4FL3 ANP 0.0004899 0.43611 16.087
281 4WW7 AMP 0.00004363 0.49966 16.5775
282 3ALN ANP 0.01311 0.40617 16.9565
283 3RE4 TO1 0.001354 0.40483 18.6957
284 2ZV2 609 0.002179 0.44383 20.4348
285 5TDF ADP 0.0000000002828 0.72135 20.679
286 1Y75 NAG 0.002376 0.44716 21.1864
287 5C1P ADP 0.000308 0.47891 22.1739
288 5C1P DAL DAL 0.001464 0.40044 22.1739
289 5HQ0 LZ9 0.001267 0.42576 22.619
290 3LQV ADE 0.009142 0.43053 23.0769
291 5IH9 6BF 0.002555 0.44075 23.4783
292 4C2W ANP 0.001446 0.40995 23.4783
293 5L8L ADP 0.003213 0.4357 23.9316
294 4I94 ANP 0.002342 0.41182 24.7826
295 4NM5 ADP 0.0003406 0.43607 25
296 2BKK ADP 0.0002596 0.4824 25.4438
297 3CY2 MB9 0.002807 0.4009 28.5714
298 3BU5 ATP 0.002789 0.41316 40
Pocket No.: 3; Query (leader) PDB : 4XYM; Ligand: A12; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4xym.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4XYM; Ligand: COA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4xym.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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