Receptor
PDB id Resolution Class Description Source Keywords
4PIO 1.51 Å EC: 2.1.1.44 ERGOTHIONEINE-BIOSYNTHETIC METHYLTRANSFERASE EGTD IN COMPLEX DIMETHYLHISTIDINE AND SAH MYCOBACTERIUM SMEGMATIS METHYLTRANSFERASE ERGOTHIONEINE HISTIDINE BETAINE TRANSFE
Ref.: ERGOTHIONEINE BIOSYNTHETIC METHYLTRANSFERASE EGTD R THE STRUCTURAL BASIS OF AROMATIC AMINO ACID BETAINE BIOSYNTHESIS. CHEMBIOCHEM V. 16 119 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:404;
A:405;
B:403;
A:403;
A:406;
B:404;
Part of Protein;
Part of Protein;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
CL A:407;
Invalid;
none;
submit data
35.453 Cl [Cl-]
SAH A:401;
B:401;
Valid;
Valid;
none;
none;
Kd = 210 uM
384.411 C14 H20 N6 O5 S c1nc(...
AVI B:402;
A:402;
Valid;
Valid;
none;
none;
Kd = 2 uM
183.208 C8 H13 N3 O2 CN(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PIO 1.51 Å EC: 2.1.1.44 ERGOTHIONEINE-BIOSYNTHETIC METHYLTRANSFERASE EGTD IN COMPLEX DIMETHYLHISTIDINE AND SAH MYCOBACTERIUM SMEGMATIS METHYLTRANSFERASE ERGOTHIONEINE HISTIDINE BETAINE TRANSFE
Ref.: ERGOTHIONEINE BIOSYNTHETIC METHYLTRANSFERASE EGTD R THE STRUCTURAL BASIS OF AROMATIC AMINO ACID BETAINE BIOSYNTHESIS. CHEMBIOCHEM V. 16 119 2015
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4UY7 - HIS C6 H10 N3 O2 c1c([nH+]c....
2 4PIP - TRP C11 H12 N2 O2 c1ccc2c(c1....
3 4PIN Kd = 4 uM AVI C8 H13 N3 O2 CN(C)[C@@H....
4 4UY6 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 4PIO Kd = 210 uM SAH C14 H20 N6 O5 S 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 1 families.
1 4UY7 - HIS C6 H10 N3 O2 c1c([nH+]c....
2 4PIP - TRP C11 H12 N2 O2 c1ccc2c(c1....
3 4PIN Kd = 4 uM AVI C8 H13 N3 O2 CN(C)[C@@H....
4 4UY6 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 4PIO Kd = 210 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4UY7 - HIS C6 H10 N3 O2 c1c([nH+]c....
2 4PIP - TRP C11 H12 N2 O2 c1ccc2c(c1....
3 4PIN Kd = 4 uM AVI C8 H13 N3 O2 CN(C)[C@@H....
4 4UY6 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 4PIO Kd = 210 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAH; Similar ligands found: 197
No: Ligand ECFP6 Tc MDL keys Tc
1 SAH 1 1
2 5X8 0.759494 0.969697
3 A7D 0.734177 0.926471
4 TT8 0.709302 0.970588
5 SXZ 0.692308 0.916667
6 DSH 0.692308 0.914286
7 DTA 0.666667 0.857143
8 3DH 0.662338 0.869565
9 S8M 0.655556 0.901408
10 SFG 0.635294 0.954545
11 SA8 0.62069 0.915493
12 EEM 0.617977 0.890411
13 MTA 0.615385 0.869565
14 SAI 0.613636 0.955882
15 S7M 0.586957 0.916667
16 36A 0.586538 0.90411
17 K15 0.583333 0.878378
18 RAB 0.573333 0.84058
19 ADN 0.573333 0.84058
20 XYA 0.573333 0.84058
21 62X 0.572917 0.855263
22 5CD 0.571429 0.852941
23 0UM 0.5625 0.876712
24 5N5 0.558442 0.84058
25 A4D 0.551282 0.867647
26 SAM 0.537634 0.916667
27 SSA 0.536842 0.712644
28 SMM 0.536842 0.88
29 KB1 0.534653 0.902778
30 A5D 0.532609 0.857143
31 SIB 0.53125 0.928571
32 EP4 0.530864 0.819444
33 DSZ 0.530612 0.732558
34 GSU 0.53 0.752941
35 AMP 0.529412 0.763158
36 A 0.529412 0.763158
37 5CA 0.525773 0.712644
38 ME8 0.524752 0.8125
39 M2T 0.52439 0.821918
40 6RE 0.523256 0.824324
41 GJV 0.522727 0.813333
42 AAT 0.515789 0.863014
43 LSS 0.515152 0.696629
44 KAA 0.514852 0.727273
45 J7C 0.511364 0.835616
46 A5A 0.510417 0.697674
47 SON 0.505495 0.805195
48 SRP 0.505155 0.805195
49 5AL 0.5 0.779221
50 VMS 0.5 0.681818
51 KH3 0.5 0.866667
52 ADX 0.5 0.694118
53 CA0 0.5 0.769231
54 AMP MG 0.5 0.74359
55 AMO 0.5 0.805195
56 54H 0.5 0.681818
57 AHX 0.49505 0.753086
58 TSB 0.494949 0.689655
59 53H 0.494949 0.674157
60 G5A 0.494737 0.712644
61 A2D 0.494382 0.74359
62 ABM 0.494382 0.74359
63 ZAS 0.494253 0.808219
64 A6D 0.490196 0.759494
65 8QN 0.49 0.779221
66 GEK 0.49 0.956522
67 GAP 0.489583 0.769231
68 A3S 0.48913 0.884058
69 AN2 0.48913 0.734177
70 S4M 0.488889 0.831169
71 SRA 0.488636 0.746835
72 LAD 0.485437 0.810127
73 52H 0.484848 0.674157
74 A12 0.483516 0.759494
75 BA3 0.483516 0.74359
76 AP2 0.483516 0.759494
77 AOC 0.483146 0.842857
78 NEC 0.483146 0.788732
79 Y3J 0.481481 0.768116
80 NVA LMS 0.480392 0.696629
81 VRT 0.479167 0.861111
82 50T 0.478723 0.734177
83 5AS 0.478261 0.655556
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 AP5 0.478261 0.74359
87 A3N 0.477778 0.830986
88 YSA 0.476636 0.712644
89 XAH 0.476636 0.768293
90 0XU 0.473684 0.897059
91 WAQ 0.471154 0.807692
92 NSS 0.470588 0.712644
93 5AD 0.468354 0.791045
94 ADP MG 0.468085 0.734177
95 AU1 0.468085 0.725
96 M33 0.468085 0.734177
97 MAO 0.467391 0.797468
98 TXA 0.466667 0.759494
99 A3G 0.466667 0.871429
100 NB8 0.466667 0.775
101 3AM 0.465909 0.727273
102 DAL AMP 0.465347 0.779221
103 ATP 0.463158 0.74359
104 ADP BEF 0.463158 0.716049
105 A3T 0.463158 0.842857
106 BEF ADP 0.463158 0.716049
107 ACP 0.463158 0.746835
108 7D7 0.4625 0.785714
109 LEU LMS 0.461538 0.677778
110 APC 0.458333 0.759494
111 AQP 0.458333 0.74359
112 APR 0.458333 0.766234
113 PRX 0.458333 0.746835
114 AR6 0.458333 0.766234
115 5FA 0.458333 0.74359
116 IOT 0.456897 0.761905
117 4AD 0.456311 0.794872
118 PAJ 0.456311 0.722892
119 WSA 0.45614 0.72093
120 FA5 0.453704 0.805195
121 YAP 0.453704 0.794872
122 RBY 0.453608 0.782051
123 ADV 0.453608 0.782051
124 ADP PO3 0.453608 0.763158
125 AD9 0.453608 0.725
126 SAP 0.453608 0.728395
127 AGS 0.453608 0.728395
128 PTJ 0.45283 0.731707
129 MHZ 0.452632 0.797468
130 00A 0.451923 0.740741
131 A3P 0.451613 0.74026
132 YLP 0.451327 0.771084
133 7MD 0.45045 0.768293
134 ALF ADP 0.45 0.707317
135 ADP ALF 0.45 0.707317
136 ATP MG 0.44898 0.734177
137 2VA 0.447917 0.819444
138 OOB 0.446602 0.779221
139 ANP 0.444444 0.725
140 ACQ 0.444444 0.746835
141 TAT 0.444444 0.7375
142 P5A 0.443396 0.719101
143 7D5 0.443182 0.708861
144 ARG AMP 0.442478 0.759036
145 A1R 0.442308 0.7625
146 YLC 0.439655 0.790123
147 2AM 0.438202 0.717949
148 DLL 0.438095 0.779221
149 A22 0.436893 0.734177
150 D3Y 0.436893 0.859155
151 TYR AMP 0.436364 0.782051
152 ATF 0.435644 0.716049
153 MYR AMP 0.435185 0.746988
154 SO8 0.434343 0.808219
155 3UK 0.433962 0.769231
156 OAD 0.433962 0.769231
157 TAD 0.433628 0.765432
158 25A 0.432692 0.74359
159 ANP MG 0.431373 0.707317
160 VO4 ADP 0.431373 0.734177
161 ADP VO4 0.431373 0.734177
162 9SN 0.431193 0.731707
163 TYM 0.431034 0.805195
164 PR8 0.429907 0.8
165 ADQ 0.428571 0.746835
166 YLB 0.42735 0.771084
167 3OD 0.425926 0.769231
168 FYA 0.425926 0.779221
169 1ZZ 0.425926 0.746988
170 PPS 0.425743 0.674419
171 NVA 2AD 0.424242 0.808219
172 MAP 0.423077 0.707317
173 A2P 0.421053 0.727273
174 4YB 0.421053 0.735632
175 ADP BMA 0.420561 0.746835
176 5SV 0.419048 0.731707
177 3NZ 0.416667 0.824324
178 YLA 0.416667 0.771084
179 48N 0.413793 0.753086
180 LPA AMP 0.413793 0.768293
181 AYB 0.413223 0.761905
182 QQY 0.413043 0.696203
183 ACK 0.413043 0.710526
184 JB6 0.412844 0.7625
185 BIS 0.412844 0.719512
186 PAP 0.41 0.730769
187 OVE 0.408602 0.7125
188 4UV 0.40708 0.75
189 AMP DBH 0.40708 0.746835
190 3AD 0.406977 0.852941
191 AF3 ADP 3PG 0.40678 0.743902
192 OMR 0.40678 0.738095
193 LAQ 0.405172 0.768293
194 A A 0.40367 0.74359
195 7C5 0.403509 0.789474
196 7MC 0.403361 0.75
197 4UU 0.4 0.75
Ligand no: 2; Ligand: AVI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AVI 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PIO; Ligand: AVI; Similar sites found: 263
This union binding pocket(no: 1) in the query (biounit: 4pio.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DXA SFG 0.0001781 0.47468 1.23839
2 5DX8 SFG 0.0001997 0.47258 1.23839
3 3NDJ JHZ 0.0008972 0.43257 1.23839
4 5DX1 SFG 0.0001005 0.4283 1.23839
5 5DWQ SFG 0.0001898 0.41489 1.23839
6 5DX0 SFG 0.0002748 0.41357 1.23839
7 3O7W SAM 0.000006354 0.41204 1.36054
8 2PXX SAH 0.0001452 0.49164 1.39535
9 1NJR XYL 0.003412 0.40901 1.40845
10 3FRH SAH 0.00008253 0.41966 1.58103
11 3VYW SAM 0.000238 0.47762 1.62338
12 3GRU AMP 0.0000668 0.42863 1.69492
13 3DXY SAM 0.0000294 0.55278 1.83486
14 1V6A TRE 0.01025 0.44159 1.85759
15 3RKR NAP 0.004369 0.44915 1.9084
16 1L5Y BEF 0.02506 0.40555 1.93548
17 3U31 NAD 0.004521 0.41825 2.06897
18 2HMT NAI 0.002875 0.42674 2.08333
19 2DPM SAM 0.00007406 0.49526 2.11268
20 4KXQ APR 0.01178 0.40026 2.13523
21 1I9G SAM 0.0003048 0.4729 2.14286
22 4C4A SAH 0.00006911 0.50608 2.16718
23 5KOK S9T 0.0004423 0.43046 2.16718
24 5KOK SAH 0.00002276 0.41924 2.16718
25 3M6W SAM 0.01054 0.41804 2.16718
26 5KOK R9T 0.0009257 0.41743 2.16718
27 3PT9 SAH 0.00007149 0.40287 2.16718
28 1F3L SAH 0.00002873 0.51299 2.18069
29 3LKZ SFG 0.002254 0.43827 2.18069
30 5ULP KB1 0.0003275 0.45971 2.23881
31 2UYQ SAM 0.000157 0.54186 2.25806
32 2P41 SAH 0.002276 0.44181 2.29508
33 3WD6 GSH 0.017 0.42877 2.34375
34 3MB5 SAM 0.00007215 0.49129 2.35294
35 4IF4 BEF 0.04017 0.40694 2.40385
36 4YAG NAI 0.0034 0.40671 2.42215
37 1G55 SAH 0.0001237 0.49475 2.47678
38 3S1S SAH 0.0001224 0.48158 2.47678
39 2Q28 ADP 0.0005549 0.46555 2.47678
40 4Y2H 49K 0.00007915 0.46462 2.47678
41 4Y2H SAH 0.00008499 0.46347 2.47678
42 1X87 NAD 0.0004127 0.45924 2.47678
43 5MW4 5JU 0.003411 0.40466 2.47678
44 3QOX SAH 0.0003072 0.40393 2.47678
45 4BG4 ADP 0.01944 0.40211 2.47678
46 4QAR ADE 0.01286 0.41744 2.48756
47 2PT9 S4M 0.0005288 0.44757 2.49221
48 2PT9 2MH 0.001134 0.41024 2.49221
49 2IUW AKG 0.02179 0.41733 2.52101
50 3EVG SAH 0.001628 0.44847 2.54545
51 5E8J SAH 0.0001426 0.51274 2.5641
52 3A27 SAM 0.002821 0.43755 2.57353
53 5M58 SAH 0.0001353 0.40232 2.6087
54 5BW4 SAM 0.00001037 0.41731 2.62172
55 4PNE SAH 0.00001971 0.44191 2.64901
56 3PFG TLO 0.0001445 0.41846 2.6616
57 3PFG SAM 0.01781 0.40382 2.6616
58 2PWY SAH 0.00009446 0.48634 2.71318
59 4R6W SAH 0.0002349 0.44206 2.71318
60 1EJ0 SAM 0.0004393 0.47447 2.77778
61 4AZT SAM 0.0002001 0.49008 2.78638
62 4AZW SAM 0.0002583 0.48043 2.78638
63 5HJM MTA 0.0004297 0.47053 2.78638
64 1UWK NAD 0.003082 0.41116 2.78638
65 1P31 EPU 0.01585 0.40317 2.78638
66 1L1E SAH 0.0008476 0.45338 2.78746
67 1M2K APR 0.003705 0.40759 2.81124
68 2I7C AAT 0.001283 0.41228 2.82686
69 2PX8 SAH 0.01508 0.40416 2.97398
70 1FWV SGA MAG FUC 0.008398 0.43766 2.98507
71 3G2O SAM 0.00001354 0.54351 3.01003
72 1JQ3 AAT 0.0004448 0.42901 3.04054
73 1XDS SAM 0.00000378 0.58947 3.09598
74 1QZZ SAM 0.00002806 0.5471 3.09598
75 5JAQ NAI 0.001858 0.41348 3.09598
76 3GU3 SAH 0.000003092 0.60968 3.16901
77 2ZFU SAH 0.00001547 0.43419 3.25581
78 1QAN SAH 0.00001969 0.52006 3.27869
79 3U40 ADN 0.01272 0.41768 3.30579
80 1V2A GTS 0.0438 0.40486 3.33333
81 2HXW FLC 0.041 0.40662 3.37553
82 4KRI SAH 0.00001642 0.52863 3.40557
83 4ONQ SFG 0.0004384 0.47451 3.40557
84 4E70 N7I 0.000207 0.45035 3.40557
85 5T67 JHZ 0.0008325 0.43284 3.40557
86 5T67 SAH 0.001846 0.41465 3.40557
87 3ZDS HQ9 0.03456 0.41266 3.40557
88 3ZDS OMD 0.03434 0.41082 3.40557
89 4NEC SAH 0.00002192 0.54588 3.40909
90 1JQD SAH 0.0006307 0.43189 3.42466
91 1JQD HSM 0.001447 0.42667 3.42466
92 3B8I OXL 0.01206 0.4292 3.48432
93 4YDS ATP 0.03703 0.40904 3.50877
94 1R18 SAH 0.00001473 0.52549 3.52423
95 3U4C NDP 0.001691 0.41825 3.55872
96 2O07 MTA 0.0004756 0.44279 3.61842
97 2O07 SPD 0.0006956 0.43027 3.61842
98 1Y9Q MED 0.02836 0.41341 3.64583
99 4DMG SAM 0.0001912 0.51231 3.71517
100 3X0D SAH 0.0001305 0.49371 3.71517
101 4OAV PUP 0.04027 0.40436 3.71517
102 3T7S SAM 0.00001518 0.42326 3.73134
103 4YMH SAH 0.00152 0.44223 3.75
104 1WG8 SAM 0.00009845 0.42105 3.85965
105 2BZG SAH 0.0002122 0.4889 3.87931
106 1XTP SAI 0.0002473 0.48588 3.93701
107 3P2E SAH 0.0002646 0.4756 4
108 4DCM SAM 0.0001326 0.50865 4.02477
109 2EJU SAH 0.000131 0.49848 4.02477
110 3B99 U51 0.0268 0.40876 4.02477
111 2VDV SAM 0.00000777 0.57424 4.06504
112 1NW5 SAM 0.001217 0.45027 4.07523
113 3OU2 SAH 0.00005352 0.48819 4.12844
114 3OFK SAH 0.0004372 0.46202 4.16667
115 3C3Y SAH 0.001673 0.44408 4.21941
116 1XCL SAH 0.0004858 0.4304 4.25532
117 3MAN BMA BMA MAN 0.04272 0.40507 4.30464
118 5F8F SFG 0.0000524 0.52785 4.33437
119 3DMH SAM 0.0004195 0.46681 4.33437
120 3SSO SAH 0.0005887 0.46034 4.33437
121 3TLJ SAH 0.000528 0.45471 4.33437
122 3DMH GMP 0.001323 0.42525 4.33437
123 4TQG NDP 0.002446 0.41202 4.33437
124 1Z3C SA8 0.0004992 0.43577 4.36242
125 3R51 MMA 0.001554 0.46836 4.375
126 2ZIF SAM 0.0001175 0.49575 4.3771
127 4X7Y SAH 0.003906 0.40345 4.37956
128 1TE2 PGA 0.04925 0.40525 4.42478
129 3FUU ADN 0.0002122 0.48426 4.42804
130 3H8V ATP 0.01189 0.40892 4.45205
131 3GEG NAD 0.002584 0.41378 4.45344
132 5DLY SAH 0.000891 0.40294 4.51128
133 1UAY ADN 0.00131 0.46585 4.54545
134 1ZQ9 SAM 0.0002385 0.48659 4.5614
135 1ZEM NAD 0.003675 0.41041 4.58015
136 2AE2 PTO 0.004375 0.4006 4.61538
137 2AE2 NAP 0.004375 0.4006 4.61538
138 2ZWA SAH 0.00009848 0.48992 4.64396
139 1JG3 ADN 0.00006089 0.51368 4.68085
140 1ODJ GMP 0.004644 0.43906 4.68085
141 3Q87 SAM 0.001553 0.43488 4.70588
142 1VHW ADN 0.01591 0.42042 4.74308
143 1V59 NAD 0.005464 0.43977 4.81172
144 3I53 SAH 0.000004971 0.55143 4.95356
145 4GQB 0XU 0.0004912 0.45239 4.95356
146 2EFJ SAH 0.00000804 0.42171 4.95356
147 2BO9 VAL 0.03601 0.4097 4.95496
148 3QH2 3NM 0.0257 0.41766 4.97738
149 3LST SAH 0.000001974 0.6032 5.17241
150 2EG5 SAH 0.000009742 0.56946 5.26316
151 5X62 SAH 0.00002362 0.53826 5.26316
152 1RJD SAM 0.00004917 0.50771 5.26316
153 4N49 SAM 0.005623 0.41724 5.26316
154 3A25 SAM 0.002609 0.4391 5.31561
155 3BGD SAH 0.0004309 0.45845 5.38462
156 3BGD PM6 0.0004115 0.44527 5.38462
157 5MGZ SAH 0.00003404 0.51985 5.50847
158 3WCS MAN NAG 0.0252 0.41812 5.51181
159 3LCC SAH 0.000002863 0.58099 5.53191
160 4A6D SAM 0.000005346 0.55586 5.57276
161 3L9W GSH 0.001076 0.42587 5.57276
162 3L9W AMP 0.001703 0.4128 5.57276
163 5FTW SAH 0.001902 0.43795 5.85938
164 5E72 SAM 0.0001491 0.4087 5.88235
165 2GL0 ADN 0.02014 0.4234 5.98802
166 3JWH SAH 0.000003237 0.41439 5.99078
167 2A14 SAH 0.0004198 0.46278 6.08365
168 2YX1 SFG 0.0001506 0.51158 6.19195
169 4M37 SAH 0.00005557 0.51032 6.19195
170 4M38 SAH 0.0000658 0.50215 6.19195
171 1NV8 SAM 0.0004109 0.41679 6.33803
172 1NV8 MEQ 0.0006893 0.40507 6.33803
173 5GM1 SAH 0.00003023 0.50728 6.39731
174 3H2B SAH 0.00003784 0.51779 6.40394
175 3ZG6 APR 0.0039 0.42424 6.41892
176 3GXO SAH 0.0000499 0.52886 6.50155
177 2JJQ SAH 0.001177 0.46811 6.50155
178 3P9C SAH 0.00005624 0.465 6.50155
179 3GWZ SAH 0.0000129 0.40533 6.50155
180 4RL4 PPV 0.01141 0.43405 6.60377
181 2WEL K88 0.0303 0.4138 6.66667
182 3VC1 SAH 0.00007778 0.46617 6.73077
183 3VC1 GST 0.00007778 0.42704 6.73077
184 3TKA SAM 0.0001036 0.49348 6.81115
185 3MQ2 SAH 0.0002012 0.49487 6.88073
186 1NW4 IMH 0.01817 0.41008 6.88406
187 2XYQ SAH 0.004992 0.4262 6.89655
188 1P1C SAH 0.001011 0.44277 7.03518
189 2WK1 SAH 0.007495 0.41174 7.0922
190 5JJR SAH 0.001318 0.45266 7.12074
191 5F2K SAH 0.001417 0.40791 7.12074
192 5F2K OCA 0.001417 0.40791 7.12074
193 1LSS NAD 0.0002272 0.4785 7.14286
194 3VWX GSH 0.03812 0.40835 7.20721
195 1N2X SAM 0.0001966 0.47287 7.30897
196 3CBG SAH 0.004378 0.43245 7.32759
197 4XUC 43G 0.001432 0.41182 7.33945
198 4XUC SAM 0.001432 0.41182 7.33945
199 1G60 SAM 0.0001187 0.49556 7.69231
200 1Q0S SAH 0.000149 0.47393 7.72201
201 5GWX SAR 0.0003287 0.4525 7.74648
202 5GWX SAM 0.0003287 0.4525 7.74648
203 1ZOS MTM 0.01589 0.40949 7.82609
204 1VE3 SAM 0.00002436 0.53186 7.92952
205 3ML1 MGD 0.009916 0.40709 8.14815
206 4MA6 28E 0.03794 0.40846 8.28025
207 5MPT SAH 0.00005028 0.51748 8.35913
208 2DE4 BPS 0.03015 0.40258 8.35913
209 3BXO SAM 0.000004151 0.58749 8.3682
210 5XVK SAH 0.0002895 0.4062 8.4507
211 3FZG SAM 0.0001276 0.50945 8.5
212 2FKA BEF 0.01559 0.44275 8.52713
213 3FGZ BEF 0.007605 0.45834 8.59375
214 1ZGA SAH 0.000002225 0.60067 8.68347
215 3GDH SAH 0.0000757 0.48615 8.71369
216 1I1N SAH 0.00003957 0.4472 8.84956
217 1SQF SAM 0.0004426 0.47432 8.97833
218 4M73 SAH 0.000008972 0.49547 9.28793
219 4M73 M72 0.000008019 0.47128 9.28793
220 4KIB SAH 0.00001199 0.41792 9.59752
221 2IZ1 ATR 0.01623 0.43206 9.90712
222 4AIA ADK 0.01647 0.4277 10.1064
223 5JE0 AZ8 0.0002732 0.43045 10.1215
224 5JE0 SAH 0.0002732 0.43045 10.1215
225 3EGI ADP 0.000009228 0.60237 10.1942
226 1KYZ SAH 0.000006729 0.55739 10.5263
227 1KYZ FER 0.0002663 0.45273 10.5263
228 1WY7 SAH 0.00005483 0.50089 10.628
229 3UBQ SIA GAL 0.02729 0.40139 10.7345
230 1TPY SAH 0.0007699 0.45142 10.8014
231 3G89 SAM 0.000003495 0.59113 10.8434
232 4OBW SAM 0.0002211 0.48809 10.8949
233 4IWN GEK 0.00006589 0.4234 10.917
234 1DL5 SAH 0.0007277 0.40369 11.041
235 1KPG SAH 0.000879 0.44894 11.1498
236 3QDW NDG 0.02954 0.41335 11.1888
237 1PL6 NAD 0.008404 0.40954 11.4551
238 1Z34 2FD 0.01708 0.415 11.9149
239 2FK8 SAM 0.0009033 0.45217 11.9497
240 4QTU SAM 0.00015 0.491 12.0192
241 4II2 ATP 0.002668 0.43149 12.0482
242 4A38 BZS 0.02415 0.41823 12.0743
243 1IM8 SAI 0.00006446 0.50254 13.1148
244 2XVM SAH 0.00001777 0.40488 14.0704
245 2HNK SAH 0.0006834 0.45749 14.2259
246 1FP1 SAH 0.0000006032 0.62019 14.2415
247 5FA8 SAM 0.00003884 0.4301 14.2857
248 4POO SAM 0.0008536 0.44242 14.5
249 3A4T SFG 0.0005923 0.45633 14.5985
250 5XVQ SAH 0.0001779 0.47471 14.7887
251 3HVJ 705 0.002745 0.40497 14.9321
252 5THY SAH 0.00004472 0.50951 15.1703
253 5THZ SAH 0.00007491 0.42408 15.1703
254 3DUW SAH 0.001278 0.44931 15.2466
255 5DM1 5D7 0.00006381 0.46811 15.7303
256 5DM1 SAH 0.00006204 0.46725 15.7303
257 4KRG SAH 0.00001507 0.54736 15.7895
258 3TKY SAH 0.000001992 0.45306 18.5759
259 5E1M SAH 0.0002036 0.44278 22.4066
260 5E1M PRO PRO LYS ARG ILE ALA 0.0002036 0.44278 22.4066
261 2NXE SAM 0.0000402 0.52192 22.8346
262 3EGV SAH 0.0001635 0.49908 22.8346
263 1L3I SAH 0.00009256 0.47459 31.7708
Pocket No.: 2; Query (leader) PDB : 4PIO; Ligand: SAH; Similar sites found: 266
This union binding pocket(no: 2) in the query (biounit: 4pio.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DXA SFG 0.0001473 0.47962 1.23839
2 5DX8 SFG 0.0001905 0.47487 1.23839
3 3NDJ JHZ 0.00101 0.42809 1.23839
4 5DX1 SFG 0.00009436 0.42608 1.23839
5 5DWQ SFG 0.0001775 0.41175 1.23839
6 5DX0 SFG 0.000255 0.41091 1.23839
7 3O7W SAM 0.000006008 0.40846 1.36054
8 2PXX SAH 0.0001456 0.49302 1.39535
9 1NJR XYL 0.003303 0.41078 1.40845
10 3FRH SAH 0.00007477 0.41682 1.58103
11 3VYW SAM 0.0001646 0.48609 1.62338
12 3GRU AMP 0.00006448 0.42509 1.69492
13 3DXY SAM 0.00003159 0.55278 1.83486
14 1V6A TRE 0.01075 0.44159 1.85759
15 3RKR NAP 0.00461 0.44915 1.9084
16 1L5Y BEF 0.02606 0.40555 1.93548
17 3U31 NAD 0.004839 0.41816 2.06897
18 2HMT NAI 0.003068 0.42674 2.08333
19 2DPM SAM 0.00007082 0.49759 2.11268
20 1I9G SAM 0.0002731 0.47639 2.14286
21 4C4A SAH 0.0000447 0.51608 2.16718
22 5KOK S9T 0.0004965 0.42594 2.16718
23 3M6W SAM 0.01113 0.41804 2.16718
24 5KOK SAH 0.00002214 0.4151 2.16718
25 5KOK R9T 0.001048 0.41117 2.16718
26 3WXL ADP 0.0356 0.40661 2.16718
27 3EF0 ALF 0.04138 0.40633 2.16718
28 1F3L SAH 0.00002491 0.51722 2.18069
29 3LKZ SFG 0.002402 0.43827 2.18069
30 5ULP KB1 0.0003445 0.46017 2.23881
31 2UYQ SAM 0.0001664 0.54186 2.25806
32 2P41 SAH 0.002423 0.44181 2.29508
33 3WD6 GSH 0.01779 0.42877 2.34375
34 3MB5 SAM 0.00007323 0.49251 2.35294
35 4IF4 BEF 0.04176 0.40694 2.40385
36 4YAG NAI 0.003479 0.40411 2.42215
37 1G55 SAH 0.000119 0.49697 2.47678
38 3S1S SAH 0.0001325 0.48158 2.47678
39 2Q28 ADP 0.0003155 0.47793 2.47678
40 4Y2H 49K 0.00005991 0.46592 2.47678
41 4Y2H SAH 0.00006408 0.46485 2.47678
42 1X87 NAD 0.0004445 0.45924 2.47678
43 1F8G NAD 0.01097 0.40272 2.47678
44 4QAR ADE 0.01355 0.41744 2.48756
45 2PT9 S4M 0.0004627 0.4513 2.49221
46 2PT9 2MH 0.001054 0.41417 2.49221
47 2IUW AKG 0.01978 0.42064 2.52101
48 3EVG SAH 0.001735 0.44847 2.54545
49 5E8J SAH 0.0001526 0.51274 2.5641
50 3A27 SAM 0.002759 0.43922 2.57353
51 5BW4 SAM 0.00001124 0.41141 2.62172
52 1K2V DEF 0.01584 0.42162 2.63158
53 4PNE SAH 0.0000199 0.43706 2.64901
54 3PFG TLO 0.0001476 0.42106 2.6616
55 2PWY SAH 0.00009189 0.48833 2.71318
56 4R6W SAH 0.0002183 0.44465 2.71318
57 1EJ0 SAM 0.0004467 0.4755 2.77778
58 4AZT SAM 0.0002148 0.49008 2.78638
59 4AZW SAM 0.0002582 0.48184 2.78638
60 5HJM MTA 0.0004392 0.47147 2.78638
61 1P31 EPU 0.01035 0.41281 2.78638
62 1UWK NAD 0.003189 0.40835 2.78638
63 5G4J EXT 0.0172 0.40263 2.78638
64 1L1E SAH 0.000798 0.45585 2.78746
65 1M2K APR 0.003974 0.40759 2.81124
66 2I7C AAT 0.00109 0.41615 2.82686
67 2PX8 SAH 0.01594 0.40416 2.97398
68 1FWV SGA MAG FUC 0.008786 0.43766 2.98507
69 3G2O SAM 0.00001468 0.54351 3.01003
70 1JQ3 AAT 0.0004278 0.43099 3.04054
71 1XDS SAM 0.000004097 0.58947 3.09598
72 1QZZ SAM 0.00003021 0.5471 3.09598
73 5JAQ NAI 0.00175 0.41206 3.09598
74 5O4F 8VE 0.04425 0.40204 3.10078
75 3GU3 SAH 0.000003341 0.60968 3.16901
76 2VGD XYP XYP XYP FX3 0.02779 0.40206 3.21101
77 2ZFU SAH 0.00001682 0.4282 3.25581
78 2HK9 NAP 0.006764 0.40091 3.27273
79 1QAN SAH 0.00001899 0.52233 3.27869
80 3U40 ADN 0.0134 0.41768 3.30579
81 1V2A GTS 0.04568 0.40486 3.33333
82 2HXW FLC 0.04282 0.40662 3.37553
83 1W2D ADP 0.02853 0.40842 3.39623
84 4KRI SAH 0.00001618 0.53051 3.40557
85 4ONQ SFG 0.0004246 0.47651 3.40557
86 4E70 N7I 0.0002015 0.45222 3.40557
87 5T67 JHZ 0.0009108 0.42881 3.40557
88 3ZDS HQ9 0.03608 0.41266 3.40557
89 3ZDS OMD 0.03589 0.41082 3.40557
90 5T67 SAH 0.002126 0.41002 3.40557
91 4NEC SAH 0.00002365 0.54588 3.40909
92 1JQD SAH 0.0006027 0.43398 3.42466
93 1JQD HSM 0.001623 0.42593 3.42466
94 3B8I OXL 0.01255 0.4292 3.48432
95 4YDS ATP 0.03654 0.41039 3.50877
96 1R18 SAH 0.0000142 0.52779 3.52423
97 3U4C NDP 0.001082 0.42707 3.55872
98 2O07 MTA 0.0004769 0.4441 3.61842
99 2O07 SPD 0.000687 0.4318 3.61842
100 1Y9Q MED 0.02959 0.41341 3.64583
101 4DMG SAM 0.0001925 0.51358 3.71517
102 3X0D SAH 0.0001175 0.49722 3.71517
103 3T7S SAM 0.00001618 0.4174 3.73134
104 4YMH SAH 0.001483 0.44398 3.75
105 1WG8 SAM 0.0001052 0.41552 3.85965
106 2BZG SAH 0.0002084 0.49068 3.87931
107 1XTP SAI 0.0002653 0.48588 3.93701
108 3P2E SAH 0.0002638 0.47706 4
109 4DCM SAM 0.0001282 0.5108 4.02477
110 2EJU SAH 0.0001409 0.49848 4.02477
111 3B99 U51 0.0281 0.40876 4.02477
112 2VDV SAM 0.000008163 0.57485 4.06504
113 1NW5 SAM 0.001234 0.45129 4.07523
114 3OU2 SAH 0.00003587 0.49683 4.12844
115 3OFK SAH 0.0004309 0.46365 4.16667
116 3C3Y SAH 0.001788 0.44405 4.21941
117 1XCL SAH 0.0004901 0.43161 4.25532
118 3MAN BMA BMA MAN 0.04445 0.40507 4.30464
119 5F8F SFG 0.00005441 0.52859 4.33437
120 3DMH SAM 0.0004505 0.46681 4.33437
121 3SSO SAH 0.0006315 0.46034 4.33437
122 3TLJ SAH 0.0005256 0.45615 4.33437
123 3DMH GMP 0.001265 0.42731 4.33437
124 4TQG NDP 0.002632 0.41202 4.33437
125 4TR1 GSH 0.03402 0.41156 4.34783
126 1Z3C SA8 0.0004626 0.43839 4.36242
127 3R51 MMA 0.001629 0.46836 4.375
128 2ZIF SAM 0.0001177 0.49718 4.3771
129 3FUU ADN 0.0002093 0.48594 4.42804
130 3H8V ATP 0.01257 0.40892 4.45205
131 3GEG NAD 0.002094 0.41863 4.45344
132 5DLY SAH 0.0006871 0.40954 4.51128
133 5DLY 5D7 0.0007232 0.4022 4.51128
134 1UAY ADN 0.001391 0.46585 4.54545
135 1ZQ9 SAM 0.0002167 0.48991 4.5614
136 1ZEM NAD 0.003762 0.4112 4.58015
137 2ZWA SAH 0.00008406 0.49437 4.64396
138 1X14 NAD 0.02221 0.40045 4.64396
139 1JG3 ADN 0.00006567 0.51368 4.68085
140 1ODJ GMP 0.004912 0.43906 4.68085
141 3Q87 SAM 0.00153 0.43643 4.70588
142 1VHW ADN 0.01671 0.42042 4.74308
143 1V59 NAD 0.005769 0.43977 4.81172
144 1BC5 SAH 0.01038 0.40102 4.83271
145 3I53 SAH 0.000005014 0.55295 4.95356
146 4GQB 0XU 0.0004465 0.45548 4.95356
147 2EFJ SAH 0.000008721 0.41579 4.95356
148 3BJE R1P 0.03975 0.40453 4.95356
149 2BO9 VAL 0.03762 0.4097 4.95496
150 3QH2 3NM 0.02689 0.41766 4.97738
151 3EWP APR 0.009347 0.40028 5.08475
152 3LST SAH 0.000002121 0.60343 5.17241
153 2EG5 SAH 0.000009943 0.57066 5.26316
154 5X62 SAH 0.00002054 0.54267 5.26316
155 1RJD SAM 0.00004691 0.51013 5.26316
156 4N49 SAM 0.005759 0.41795 5.26316
157 3A25 SAM 0.002536 0.4409 5.31561
158 3BGD SAH 0.000452 0.45893 5.38462
159 3BGD PM6 0.0004001 0.44712 5.38462
160 5MGZ SAH 0.00003685 0.51985 5.50847
161 3WCS MAN NAG 0.02637 0.41812 5.51181
162 3WCS MAN NAG GAL 0.03373 0.40464 5.51181
163 3LCC SAH 0.00000293 0.58225 5.53191
164 4A6D SAM 0.000005737 0.55616 5.57276
165 3L9W GSH 0.001162 0.42587 5.57276
166 3L9W AMP 0.00184 0.4128 5.57276
167 5FTW SAH 0.001891 0.43932 5.85938
168 5E72 SAM 0.0001495 0.4046 5.88235
169 2GL0 ADN 0.02109 0.4234 5.98802
170 3JWH SAH 0.000003504 0.40869 5.99078
171 2A14 SAH 0.0004283 0.46377 6.08365
172 4M37 SAH 0.00004052 0.518 6.19195
173 4M38 SAH 0.0000374 0.51447 6.19195
174 2YX1 SFG 0.0001591 0.51186 6.19195
175 2UYN 2KT 0.03844 0.40609 6.20155
176 1XXR MAN 0.04684 0.41404 6.21118
177 1NV8 SAM 0.0004086 0.41275 6.33803
178 1NV8 MEQ 0.0006507 0.40192 6.33803
179 5GM1 SAH 0.00003115 0.50829 6.39731
180 3H2B SAH 0.00004003 0.51824 6.40394
181 3ZG6 APR 0.004152 0.42424 6.41892
182 3GXO SAH 0.0000537 0.52886 6.50155
183 2JJQ SAH 0.001031 0.47221 6.50155
184 3P9C SAH 0.00005192 0.4678 6.50155
185 3GWZ SAH 0.000007505 0.41372 6.50155
186 4RL4 PPV 0.01191 0.43405 6.60377
187 3VC1 SAH 0.00008777 0.46109 6.73077
188 3VC1 GST 0.00008777 0.42828 6.73077
189 3TKA SAM 0.0001119 0.49348 6.81115
190 3MQ2 SAH 0.0002071 0.4957 6.88073
191 1NW4 IMH 0.01912 0.41008 6.88406
192 2XYQ SAH 0.00524 0.42642 6.89655
193 1P1C SAH 0.001085 0.44277 7.03518
194 2WK1 SAH 0.00796 0.41174 7.0922
195 5JJR SAH 0.001433 0.45228 7.12074
196 5F2K OCA 0.001341 0.40513 7.12074
197 5F2K SAH 0.001341 0.40513 7.12074
198 1LSS NAD 0.0002446 0.4785 7.14286
199 3VWX GSH 0.03982 0.40835 7.20721
200 1N2X SAM 0.0001803 0.47589 7.30897
201 3CBG SAH 0.003555 0.43789 7.32759
202 4XUC SAM 0.001588 0.40776 7.33945
203 4XUC 43G 0.001588 0.40776 7.33945
204 1G60 SAM 0.0001202 0.49678 7.69231
205 1Q0S SAH 0.000144 0.47599 7.72201
206 5GWX SAM 0.0003558 0.4525 7.74648
207 5GWX SAR 0.0003558 0.4525 7.74648
208 1ZOS MTM 0.01675 0.40949 7.82609
209 1VE3 SAM 0.00002523 0.53273 7.92952
210 3ML1 MGD 0.01109 0.40319 8.14815
211 3TL1 JRO 0.04772 0.40403 8.1761
212 5MPT SAH 0.0000511 0.51868 8.35913
213 2DE4 BPS 0.02347 0.40914 8.35913
214 3BXO SAM 0.000004498 0.58749 8.3682
215 5XVK SAH 0.0002977 0.40198 8.4507
216 3FZG SAM 0.0001424 0.50861 8.5
217 2FKA BEF 0.01623 0.44275 8.52713
218 3FGZ BEF 0.007936 0.45834 8.59375
219 1ZGA SAH 0.000002416 0.60067 8.68347
220 3GDH SAH 0.00008087 0.48644 8.71369
221 1I1N SAH 0.00003957 0.44217 8.84956
222 1SQF SAM 0.000474 0.47432 8.97833
223 4M73 SAH 0.000008127 0.49336 9.28793
224 4M73 M72 0.000008004 0.47475 9.28793
225 4KIB SAH 0.00001226 0.41306 9.59752
226 2IZ1 ATR 0.01697 0.43206 9.90712
227 4AIA ADK 0.01715 0.4277 10.1064
228 5JE0 AZ8 0.0002849 0.42549 10.1215
229 5JE0 SAH 0.0002849 0.42549 10.1215
230 3EGI ADP 0.000009902 0.60237 10.1942
231 1KYZ SAH 0.000007317 0.55739 10.5263
232 1KYZ FER 0.0002889 0.45273 10.5263
233 1WY7 SAH 0.00005582 0.50206 10.628
234 3UBQ SIA GAL 0.02771 0.40212 10.7345
235 1TPY SAH 0.0007344 0.45363 10.8014
236 3G89 SAM 0.000003789 0.59113 10.8434
237 4OBW SAM 0.0001668 0.49512 10.8949
238 4IWN GEK 0.00005638 0.42104 10.917
239 1DL5 SAH 0.0007253 0.40015 11.041
240 1KPG SAH 0.0008374 0.45116 11.1498
241 1PL6 NAD 0.008921 0.40954 11.4551
242 1Z34 2FD 0.01796 0.415 11.9149
243 2FK8 SAM 0.000868 0.45424 11.9497
244 4QTU SAM 0.0001615 0.491 12.0192
245 4II2 ATP 0.002845 0.43149 12.0482
246 4A38 BZS 0.02521 0.41823 12.0743
247 1IM8 SAI 0.00002915 0.51924 13.1148
248 2HNK SAH 0.0006728 0.45912 14.2259
249 1FP1 SAH 0.000000634 0.62099 14.2415
250 5FA8 SAM 0.00004189 0.42501 14.2857
251 4POO SAM 0.0009178 0.44242 14.5
252 3A4T SFG 0.0006361 0.45633 14.5985
253 5XVQ SAH 0.0001569 0.47845 14.7887
254 3HVJ 705 0.002934 0.40164 14.9321
255 5THY SAH 0.00004448 0.51115 15.1703
256 5THZ SAH 0.00006983 0.42097 15.1703
257 3DUW SAH 0.001268 0.45075 15.2466
258 5DM1 5D7 0.00005489 0.46732 15.7303
259 5DM1 SAH 0.00005352 0.4664 15.7303
260 4KRG SAH 0.00001631 0.54736 15.7895
261 3TKY SAH 0.000001864 0.44855 18.5759
262 5E1M SAH 0.0002219 0.43852 22.4066
263 5E1M PRO PRO LYS ARG ILE ALA 0.0002219 0.43852 22.4066
264 2NXE SAM 0.00004342 0.52192 22.8346
265 3EGV SAH 0.0001754 0.49908 22.8346
266 1L3I SAH 0.00008977 0.4766 31.7708
Pocket No.: 3; Query (leader) PDB : 4PIO; Ligand: AVI; Similar sites found: 68
This union binding pocket(no: 3) in the query (biounit: 4pio.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Q3F TLA 0.01715 0.43137 None
2 2CBZ ATP 0.01009 0.43812 1.26582
3 1G6H ADP 0.002768 0.46812 1.55642
4 5G3U FDA 0.002729 0.41342 1.85759
5 2WPF FAD 0.0175 0.41219 1.85759
6 1BZL FAD 0.01799 0.41209 1.85759
7 1ELI PYC 0.003106 0.41123 1.85759
8 2WPF WPF 0.02516 0.4065 1.85759
9 1T5C ADP 0.03629 0.40747 2.16718
10 5KMS FAD 0.004295 0.40356 2.16718
11 5DNK SAH 0.00003828 0.40191 2.16718
12 3EF0 ALF 0.04212 0.40069 2.16718
13 2CDU ADP 0.009123 0.41389 2.47678
14 1LCF OXL 0.03427 0.41041 2.47678
15 1OMO NAD 0.006311 0.40253 2.48447
16 3LCV SAM 0.0003438 0.41472 2.4911
17 1KYQ NAD 0.00619 0.42169 2.55474
18 5E9W SAH 0.00005966 0.41301 2.5641
19 1K2V DEF 0.01184 0.42341 2.63158
20 1OBB NAD 0.003632 0.4124 3.09598
21 4YDD MGD 0.01203 0.41035 3.09598
22 4YDD MD1 0.01203 0.41035 3.09598
23 4AGS GSH 0.03237 0.40887 3.09598
24 3HZL 6PC 0.005148 0.44263 3.40557
25 2AOT SAH 0.0001106 0.40333 3.42466
26 3B5J 12D 0.02707 0.41305 3.7037
27 4CNK FAD 0.005289 0.40221 3.71517
28 2WZ5 MET 0.006406 0.44531 3.92157
29 4FZV SAM 0.0002117 0.41161 4.02477
30 5K7U SAM 0.009281 0.41021 4.02477
31 5U8U FAD 0.01466 0.40323 4.02477
32 1G8K MGD 0.01881 0.40042 4.02477
33 2AWN ADP 0.03899 0.40136 4.33437
34 4TR1 GSH 0.03442 0.40666 4.34783
35 4O08 PO6 0.04218 0.40296 4.36137
36 5DLY 5D7 0.0003601 0.40042 4.51128
37 2JAC GSH 0.03467 0.40745 4.54545
38 5N53 8NB 0.03046 0.41295 4.61538
39 1X14 NAD 0.01089 0.41033 4.64396
40 1BC5 SAH 0.005605 0.4075 4.83271
41 2V3V MGD 0.007418 0.41927 4.95356
42 4RVG SAM 0.0001243 0.40876 5.26316
43 4RVG TYD 0.0001402 0.40088 5.26316
44 3WCS MAN NAG GAL 0.03098 0.40215 5.51181
45 5F7J ADE 0.04095 0.40482 5.625
46 4UXM BE7 0.02136 0.40619 6.06061
47 4RDH AMP 0.006322 0.42493 6.25
48 2F5Z FAD 0.005055 0.40791 6.25
49 3LGS SAH 0.02116 0.40689 6.36704
50 1FEC FAD 0.007023 0.40488 6.50155
51 5KVA SAM 0.0005984 0.40088 7.19424
52 3MBI HSX 0.03227 0.40496 7.31707
53 3EYA FAD 0.004927 0.40013 8.35913
54 1JJ7 ADP 0.0114 0.43648 8.46154
55 2WHX ADP 0.02569 0.41651 8.66873
56 4RSL FAD 0.003023 0.40947 8.66873
57 5JCM FAD 0.01727 0.40084 9.90712
58 5JCM ISD 0.01839 0.40084 9.90712
59 5JCM NAD 0.01727 0.40084 9.90712
60 1E1M FAD 0.008401 0.40652 10.8359
61 3QDY CBS 0.02667 0.4141 11.1888
62 1KPH SAH 0.0008165 0.40033 12.1951
63 3LN9 FLC 0.009471 0.40982 12.9496
64 1Y8Q ATP 0.004123 0.41014 14.2415
65 1V5F FAD 0.008318 0.41292 14.5511
66 5O4J 9KH 0.004054 0.40224 15.3285
67 5O4J SAH 0.004054 0.40224 15.3285
68 1LVL NAD 0.008856 0.40489 18.8854
Pocket No.: 4; Query (leader) PDB : 4PIO; Ligand: SAH; Similar sites found: 88
This union binding pocket(no: 4) in the query (biounit: 4pio.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Q3F TLA 0.01796 0.43137 None
2 1MFI FHC 0.02987 0.41432 None
3 2CBZ ATP 0.009534 0.4403 1.26582
4 1G6H ADP 0.002548 0.47092 1.55642
5 5JE8 NAD 0.006215 0.4069 1.65563
6 3FPF MTA 0.0004056 0.40207 1.67785
7 3FPF TNA 0.0004056 0.40207 1.67785
8 1ELI PYC 0.001749 0.41835 1.85759
9 5G3U FDA 0.002346 0.41345 1.85759
10 1BZL FAD 0.01622 0.41205 1.85759
11 2WPF FAD 0.01614 0.41172 1.85759
12 2WPF WPF 0.02245 0.40676 1.85759
13 4KXQ APR 0.01025 0.4005 2.13523
14 1T5C ADP 0.03405 0.40907 2.16718
15 5DNK SAH 0.00002174 0.40696 2.16718
16 2HJR APR 0.006246 0.40681 2.16718
17 3PT9 SAH 0.0001202 0.40512 2.16718
18 5KMS FAD 0.003977 0.40247 2.16718
19 2AG8 NAP 0.01027 0.40332 2.28137
20 5MW4 5JU 0.001071 0.42876 2.47678
21 2CDU ADP 0.006767 0.42117 2.47678
22 4WCX ALA 0.01778 0.41805 2.47678
23 3QOX SAH 0.0001969 0.41802 2.47678
24 1LCF OXL 0.03574 0.41041 2.47678
25 4USS GSH 0.04149 0.40418 2.47678
26 1OMO NAD 0.004326 0.41059 2.48447
27 3LCV SAM 0.00007492 0.43192 2.4911
28 1KYQ NAD 0.004292 0.43035 2.55474
29 5E9W SAH 0.00003604 0.41178 2.5641
30 5M58 SAH 0.00008237 0.41814 2.6087
31 3PFG SAM 0.01324 0.41316 2.6616
32 1APZ ASP 0.04606 0.40171 3.08642
33 1OBB NAD 0.001871 0.42562 3.09598
34 4YDD MGD 0.0108 0.41022 3.09598
35 4YDD MD1 0.0108 0.41022 3.09598
36 4YNU FAD 0.005905 0.40385 3.09598
37 4YNU LGC 0.007535 0.40309 3.09598
38 4AGS GSH 0.04502 0.40225 3.09598
39 3HZL 6PC 0.005402 0.44263 3.40557
40 3ZDS M8O 0.0421 0.40001 3.40557
41 2AOT SAH 0.00002912 0.41621 3.42466
42 3B5J 12D 0.02612 0.41505 3.7037
43 4CNK FAD 0.00472 0.40179 3.71517
44 4FZV SAM 0.0001457 0.41316 4.02477
45 5K7U SAM 0.008742 0.41265 4.02477
46 1DJN ADP 0.007259 0.40406 4.02477
47 1G8K MGD 0.01397 0.40383 4.02477
48 5U8U FAD 0.01441 0.40149 4.02477
49 2AWN ADP 0.03531 0.40413 4.33437
50 1TE2 PGA 0.04361 0.40591 4.42478
51 5N53 8NB 0.03196 0.41295 4.61538
52 2AE2 PTO 0.005004 0.40287 4.61538
53 2AE2 NAP 0.005004 0.40287 4.61538
54 2GNB MAN 0.01188 0.43493 4.7619
55 1UKG MMA 0.02424 0.41836 4.7619
56 2GN3 MMA 0.01374 0.41593 4.7619
57 2GNM MAN 0.02662 0.41341 4.7619
58 2GMM MAN MAN 0.02802 0.40971 4.7619
59 2PHT MAN MAN MAN 0.04317 0.40439 4.7619
60 3CQL NAG 0.03555 0.40761 4.93827
61 2V3V MGD 0.005503 0.42245 4.95356
62 4RVG SAM 0.00008993 0.41652 5.26316
63 4RVG TYD 0.0001087 0.40737 5.26316
64 1I1Q TRP 0.02072 0.41622 5.72917
65 4UXM BE7 0.01268 0.41124 6.06061
66 4RDH AMP 0.004779 0.43197 6.25
67 2F5Z FAD 0.003966 0.4097 6.25
68 1FEC FAD 0.005874 0.40571 6.50155
69 5KVA SAM 0.0003818 0.40467 7.19424
70 1VJT NAD 0.005382 0.41884 8.35913
71 1JJ7 ADP 0.01044 0.43931 8.46154
72 2WHX ADP 0.02405 0.41915 8.66873
73 4RSL FAD 0.001829 0.41531 8.66873
74 1A5Z NAD 0.007705 0.40582 9.90712
75 5JCM NAD 0.01513 0.40122 9.90712
76 5JCM ISD 0.01614 0.40122 9.90712
77 5JCM FAD 0.01513 0.40122 9.90712
78 1E1M FAD 0.006744 0.40816 10.8359
79 1KPH SAH 0.0001555 0.41785 12.1951
80 3LN9 FLC 0.009904 0.40982 12.9496
81 2XVM SAH 0.00001667 0.41474 14.0704
82 1Y8Q ATP 0.002993 0.41719 14.2415
83 1V5F FAD 0.01022 0.40703 14.5511
84 5O4J 9KH 0.003389 0.40278 15.3285
85 5O4J SAH 0.003389 0.40278 15.3285
86 4BLW AMP 0.001373 0.4176 17.6471
87 4BLW SAH 0.0009995 0.40428 17.6471
88 1LVL NAD 0.006599 0.41173 18.8854
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