Receptor
PDB id Resolution Class Description Source Keywords
5D4V 1.6 Å NON-ENZYME: OTHER HCGC WITH SAH AND A GUANYLYLPYRIDINOL (GP) DERIVATIVE METHANOCALDOCOCCUS JANNASCHII ROSSMANN-LIKE FOLD UNKNOWN FUNCTION
Ref.: IDENTIFICATION OF HCGC AS A SAM-DEPENDENT PYRIDINOL METHYLTRANSFERASE IN [FE]-HYDROGENASE COFACTOR BIOS ANGEW.CHEM.INT.ED.ENGL. V. 55 9648 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SAH C:301;
B:301;
D:301;
A:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
SO4 C:307;
B:306;
C:303;
C:302;
C:306;
D:302;
D:304;
D:303;
B:302;
A:303;
C:305;
B:304;
A:302;
B:305;
D:305;
C:304;
A:304;
B:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
YGP B:307;
C:308;
Valid;
Valid;
none;
none;
submit data
484.357 C17 H21 N6 O9 P CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5D4V 1.6 Å NON-ENZYME: OTHER HCGC WITH SAH AND A GUANYLYLPYRIDINOL (GP) DERIVATIVE METHANOCALDOCOCCUS JANNASCHII ROSSMANN-LIKE FOLD UNKNOWN FUNCTION
Ref.: IDENTIFICATION OF HCGC AS A SAM-DEPENDENT PYRIDINOL METHYLTRANSFERASE IN [FE]-HYDROGENASE COFACTOR BIOS ANGEW.CHEM.INT.ED.ENGL. V. 55 9648 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5D4U - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 5D4V - YGP C17 H21 N6 O9 P CC1=CC(=C(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5D4U - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 5D4V - YGP C17 H21 N6 O9 P CC1=CC(=C(....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5D4U - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 5D4V - YGP C17 H21 N6 O9 P CC1=CC(=C(....
3 5O4J - 9KH C8 H9 N O4 Cc1c(cc(nc....
4 5O4N - 9KH C8 H9 N O4 Cc1c(cc(nc....
5 5O4M - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 5O4H - 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: YGP; Similar ligands found: 93
No: Ligand ECFP6 Tc MDL keys Tc
1 YGP 1 1
2 GP3 0.706522 0.902439
3 GDP 0.698925 0.901235
4 GNH 0.691489 0.890244
5 GCP 0.6875 0.879518
6 G 0.681319 0.9125
7 5GP 0.681319 0.9125
8 GMV 0.677083 0.879518
9 GTP 0.677083 0.901235
10 G1R 0.670103 0.890244
11 GNP 0.663265 0.879518
12 GSP 0.663265 0.858824
13 GP2 0.663158 0.869048
14 FEG 0.642857 0.883721
15 ZGP 0.637168 0.873563
16 Y9Z 0.632075 0.840909
17 G2R 0.631068 0.869048
18 G2P 0.63 0.869048
19 GPG 0.625 0.891566
20 GAV 0.617647 0.869048
21 GDP MG 0.616162 0.857143
22 GFB 0.611111 0.914634
23 GDR 0.611111 0.914634
24 GTG 0.611111 0.892857
25 ALF 5GP 0.61 0.827586
26 GDP BEF 0.61 0.837209
27 G3A 0.605505 0.902439
28 GPD 0.603604 0.882353
29 GCP G 0.601942 0.86747
30 GKE 0.601852 0.891566
31 GDC 0.601852 0.891566
32 GDD 0.601852 0.891566
33 G5P 0.6 0.902439
34 FE9 0.595041 0.860215
35 JB2 0.594595 0.914634
36 BEF GDP 0.592233 0.827586
37 GTP MG 0.592233 0.857143
38 6CK 0.590909 0.870588
39 GDP AF3 0.590476 0.827586
40 GKD 0.580357 0.891566
41 GDP ALF 0.575472 0.827586
42 GDX 0.575221 0.902439
43 JB3 0.564103 0.926829
44 GMP 0.56044 0.792683
45 G G 0.559633 0.890244
46 NGD 0.546219 0.891566
47 U2G 0.546219 0.915663
48 GDP 7MG 0.54386 0.891566
49 I2C FE2 CMO CMO 0.540323 0.897727
50 PGD 0.539683 0.904762
51 CG2 0.53719 0.915663
52 2MD 0.532787 0.895349
53 MGD 0.532258 0.895349
54 CAG 0.532258 0.842697
55 G3D 0.523364 0.888889
56 TPG 0.51938 0.88764
57 MD1 0.515625 0.895349
58 G4P 0.513761 0.888889
59 3GP 0.51 0.876543
60 0O2 0.508929 0.888889
61 DBG 0.496183 0.880952
62 G4M 0.492754 0.863636
63 U A G G 0.488189 0.890244
64 2GP 0.480392 0.865854
65 G A A A 0.480315 0.879518
66 GH3 0.464286 0.878049
67 BGO 0.460317 0.880952
68 GPX 0.45614 0.853659
69 G1G 0.454545 0.904762
70 G1R G1R 0.451852 0.858824
71 GPC 0.450382 0.883721
72 GGM 0.449612 0.860465
73 DGI 0.449541 0.835294
74 PGD O 0.448529 0.855556
75 DGT 0.446429 0.835294
76 IDP 0.444444 0.876543
77 P2G 0.443396 0.819277
78 G G U 0.439024 0.890244
79 P1G 0.435185 0.809524
80 DG 0.433962 0.845238
81 DGP 0.433962 0.845238
82 MGP 0.428571 0.891566
83 G C 0.427481 0.903614
84 6G0 0.424779 0.891566
85 IMP 0.424528 0.8875
86 G7M 0.420561 0.902439
87 GTA 0.416 0.892857
88 U G A 0.414966 0.892857
89 APC G U 0.414815 0.845238
90 G G G RPC 0.406015 0.879518
91 C2E 0.401786 0.876543
92 PCG 0.401786 0.8875
93 35G 0.401786 0.8875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5D4V; Ligand: SAH; Similar sites found: 330
This union binding pocket(no: 1) in the query (biounit: 5d4v.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WSB NAD 0.0104 0.40991 None
2 2A92 NAI 0.00002748 0.51221 1.49254
3 3KLJ FAD 0.0003055 0.46873 1.49254
4 5K6A NAP 0.005819 0.40976 1.49254
5 2WD7 NAP 0.006411 0.40664 1.49254
6 2VZ0 D64 0.03891 0.40495 1.49254
7 2VZ0 NAP 0.03891 0.40495 1.49254
8 5JDI NAP 0.007214 0.40446 1.49254
9 1P31 EPU 0.007683 0.40373 1.49254
10 3JQ9 NAP 0.00935 0.40096 1.49254
11 2HNK SAH 0.001333 0.42932 1.67364
12 1SC6 NAD 0.0000379 0.50621 1.86567
13 1X87 NAD 0.00003781 0.48118 1.86567
14 4K28 NAD 0.0000319 0.47003 1.86567
15 2YY7 NAD 0.0004111 0.46031 1.86567
16 1ZMD NAI 0.00009806 0.45031 1.86567
17 3DXY SAM 0.01128 0.41049 1.86567
18 2YIP YIO 0.03401 0.40205 2.17391
19 2FZW NAD 0.00009028 0.50469 2.23881
20 4EMI NAD 0.00207 0.45667 2.23881
21 3TWO NDP 0.0007885 0.45358 2.23881
22 4EMI FAD 0.0009927 0.45283 2.23881
23 4JJF N2I 0.000656 0.45017 2.23881
24 4JJF FE9 0.0005549 0.45017 2.23881
25 1VI2 NAD 0.0005636 0.4411 2.23881
26 4EDF UPG 0.003227 0.43906 2.23881
27 3NDJ SAH 0.00499 0.42965 2.23881
28 3NDJ JHZ 0.00499 0.42965 2.23881
29 5T9E NAP 0.001763 0.42744 2.23881
30 1ZH8 NAP 0.0002713 0.42436 2.23881
31 1NPD NAD 0.0007463 0.42406 2.23881
32 3LZW NAP 0.03887 0.42091 2.23881
33 1NVM NAD 0.0001245 0.41902 2.23881
34 1KPG SAH 0.002845 0.41218 2.23881
35 1E5Q NDP 0.0004135 0.41194 2.23881
36 1KPH SAH 0.003193 0.41012 2.23881
37 2GCG NDP 0.0008595 0.40337 2.23881
38 2GCG DGY 0.0222 0.40131 2.23881
39 3DUW SAH 0.002264 0.40825 2.24215
40 1X7D ORN 0.00003811 0.51361 2.61194
41 1X7D NAD 0.00002047 0.51248 2.61194
42 5MBX FAD 0.0003405 0.48875 2.61194
43 5MBX SP5 0.0003405 0.48875 2.61194
44 3UCL FAD 0.0007069 0.48129 2.61194
45 3UCL NAP 0.0007848 0.48129 2.61194
46 3UCL CYH 0.0007069 0.48129 2.61194
47 2Y6Q FAD 0.0003735 0.46355 2.61194
48 2Y6Q I7T 0.0008814 0.46355 2.61194
49 1KYQ NAD 0.0005056 0.45995 2.61194
50 3QVP FAD 0.001325 0.45267 2.61194
51 1EZ4 NAD 0.00006761 0.45047 2.61194
52 4BVA NDP 0.00003447 0.43543 2.61194
53 1GY8 NAD 0.002185 0.42927 2.61194
54 2RGJ FAD 0.00005101 0.42238 2.61194
55 2FK8 SAM 0.002589 0.41723 2.61194
56 1TPY SAH 0.00301 0.41118 2.61194
57 3H4V DVP 0.01128 0.4102 2.61194
58 5THQ NDP 0.005693 0.41017 2.61194
59 5VN0 NAI 0.0008843 0.40923 2.61194
60 3H4V NAP 0.01796 0.40026 2.61194
61 5OFW 9TW 0.004644 0.4464 2.69058
62 4OBW SAM 0.00684 0.40595 2.72374
63 2NXE SAM 0.000528 0.4546 2.75591
64 2DT5 NAD 0.000002277 0.4911 2.8436
65 1V59 NAD 0.00001836 0.54382 2.98507
66 3ICT ADP 0.0001896 0.49538 2.98507
67 2VVM FAD 0.000231 0.48307 2.98507
68 5FJN BE2 0.0003284 0.48181 2.98507
69 5FJN FAD 0.000278 0.48181 2.98507
70 4MIG G3F 0.0004395 0.4791 2.98507
71 1WDK NAD 0.00007527 0.46927 2.98507
72 3ICS FAD 0.0004356 0.46854 2.98507
73 1O6Z NAD 0.0004402 0.44927 2.98507
74 3VPH OXM 0.000008646 0.43397 2.98507
75 3VPH NAD 0.0000248 0.43004 2.98507
76 4AZT SAM 0.002082 0.42856 2.98507
77 4FC7 NAP 0.004882 0.42643 2.98507
78 4FC7 COA 0.004882 0.42643 2.98507
79 3ICS ADP 0.0001411 0.42465 2.98507
80 2PZM NAD 0.005617 0.42465 2.98507
81 2PZM UDP 0.005617 0.42465 2.98507
82 1CER NAD 0.0006867 0.4149 2.98507
83 5MPT SAH 0.004857 0.41246 2.98507
84 2D2I NAP 0.002215 0.41145 2.98507
85 4KQW NAP 0.007186 0.41071 2.98507
86 4D42 NAP 0.01523 0.41012 2.98507
87 4D42 W0I 0.01523 0.41012 2.98507
88 2RGO FAD 0.00004824 0.40752 2.98507
89 4USR FAD 0.0002408 0.40188 2.98507
90 5M67 NAD 0.00003134 0.53095 3.35821
91 5M67 ADE 0.00003414 0.52927 3.35821
92 5M67 3D1 0.00004293 0.52477 3.35821
93 2HQM FAD 0.0003473 0.47751 3.35821
94 1P0F NAP 0.0006885 0.45214 3.35821
95 1GQ2 NAP 0.0001575 0.42592 3.35821
96 2PT9 2MH 0.005382 0.41616 3.35821
97 5TUK FAD 0.0004925 0.4152 3.35821
98 4UP3 FAD 0.009999 0.41067 3.35821
99 1KOL NAD 0.02784 0.41247 3.51759
100 2V3B FAD 0.000237 0.47889 3.73134
101 4XB2 HSE 0.0001829 0.47687 3.73134
102 4XB2 NDP 0.00008542 0.47687 3.73134
103 1J0X NAD 0.000435 0.47424 3.73134
104 1U1I NAD 0.000262 0.47301 3.73134
105 2B4R AES 0.0002448 0.4684 3.73134
106 2O4C NAD 0.0002762 0.4677 3.73134
107 2B4R NAD 0.0003034 0.46595 3.73134
108 2NAD NAD 0.0008224 0.45278 3.73134
109 3CMC NAD 0.00423 0.44565 3.73134
110 1CF2 NAP 0.0007731 0.44249 3.73134
111 3V1Y NAD 0.000167 0.43687 3.73134
112 4M73 SAH 0.00227 0.43479 3.73134
113 4M73 M72 0.002441 0.43456 3.73134
114 1D1T NAD 0.00003086 0.4328 3.73134
115 1GUZ NAD 0.0001074 0.42959 3.73134
116 5H81 NAP 0.001217 0.42735 3.73134
117 4TQG NDP 0.002459 0.42432 3.73134
118 5T67 JHZ 0.006459 0.42373 3.73134
119 5T67 SAH 0.005573 0.42193 3.73134
120 5U5G NAP 0.0003495 0.41595 3.73134
121 1E3I CXF 0.00003643 0.41325 3.73134
122 2PV7 NAD 0.0007211 0.40955 3.73134
123 1YS4 NAP 0.004795 0.40284 3.73134
124 1L7N ALF 0.02988 0.40326 3.79147
125 1ZEM NAD 0.0006345 0.41551 3.81679
126 4QTU SAM 0.007357 0.40129 3.84615
127 3G89 SAM 0.001011 0.45567 4.01606
128 2HK9 ATR 0.00003009 0.54062 4.10448
129 1OMO NAD 0.000006804 0.50182 4.10448
130 5BUK FAD 0.0002744 0.48425 4.10448
131 1F8G NAD 0.00005471 0.48273 4.10448
132 1EBF NAD 0.00009164 0.4776 4.10448
133 1FEC FAD 0.000601 0.47103 4.10448
134 2HJR APR 0.0001271 0.45997 4.10448
135 2OOR NAD 0.0002408 0.45628 4.10448
136 5KVA SAM 0.0003586 0.44917 4.10448
137 2HK9 NAP 0.0001002 0.44353 4.10448
138 5LD5 NAD 0.0004081 0.44044 4.10448
139 1L7E NAI 0.0003039 0.43816 4.10448
140 2VYN NAD 0.000119 0.43108 4.10448
141 1WB4 SXX 0.01747 0.41446 4.10448
142 2AOT SAH 0.007019 0.41252 4.10448
143 4KP7 NAP 0.02293 0.40047 4.10448
144 5N5D SAM 0.001708 0.41378 4.42478
145 5UAV NDP 0.0006254 0.45921 4.47761
146 5UAV TFB 0.0006254 0.45921 4.47761
147 2WET FAD 0.001228 0.45207 4.47761
148 5UAO FAD 0.003757 0.42744 4.47761
149 4MDH NAD 0.0004869 0.41536 4.47761
150 1F06 NDP 0.00686 0.41158 4.47761
151 1F06 2NP 0.00686 0.41158 4.47761
152 1L1E SAH 0.003586 0.41129 4.47761
153 5MDH NAD 0.000798 0.40794 4.47761
154 4PNE SAH 0.005802 0.40109 4.47761
155 3GDH SAH 0.004121 0.40059 4.56432
156 4JGP PYR 0.01852 0.41402 4.60829
157 1V8B NAD 0.00002235 0.52229 4.85075
158 1PL6 572 0.00003221 0.50925 4.85075
159 1PL6 NAD 0.00001046 0.50614 4.85075
160 2F1K NAP 0.00001932 0.47065 4.85075
161 5AHO TLA 0.001093 0.46785 4.85075
162 4L8V NAP 0.0002798 0.46592 4.85075
163 1YJQ NAP 0.0003799 0.46465 4.85075
164 5JE8 NAD 0.00004645 0.46414 4.85075
165 2XVE FAD 0.002091 0.45647 4.85075
166 1ZQ9 SAM 0.0002226 0.44311 4.85075
167 2EG5 SAH 0.004699 0.4245 4.85075
168 5CAE COA 0.0008344 0.42222 4.85075
169 1DIG L37 0.004027 0.42042 4.85075
170 1DIG NAP 0.003769 0.42042 4.85075
171 1OBB NAD 0.002126 0.40638 4.85075
172 1XHC FAD 0.000078 0.40181 4.85075
173 3D3W NAP 0.006151 0.41247 4.91803
174 1PR9 NAP 0.007981 0.40757 4.91803
175 3FZG SAM 0.005473 0.41747 5
176 1L5Y BEF 0.008726 0.41477 5.16129
177 2DFV NAD 0.00002765 0.50513 5.22388
178 1MV8 NAD 0.000002242 0.50265 5.22388
179 1BXG NAD 0.00003485 0.49901 5.22388
180 1MUU NAD 0.000008132 0.49038 5.22388
181 1BW9 NAD 0.00004509 0.48619 5.22388
182 4E5N NAD 0.00018 0.47565 5.22388
183 1C1X NAD 0.00001956 0.47041 5.22388
184 1ELI PYC 0.0005623 0.46367 5.22388
185 4M52 FAD 0.0008918 0.45929 5.22388
186 4BV6 FAD 0.0008561 0.45902 5.22388
187 4YCA NDP 0.0003264 0.42619 5.22388
188 2GZ3 NAP 0.008855 0.42006 5.22388
189 3GD4 NAD 0.002446 0.40924 5.22388
190 5X20 NAD 0.005279 0.40593 5.22388
191 2AG5 NAD 0.006692 0.40717 5.28455
192 2EV9 SKM 0.00004963 0.42392 5.32319
193 2EV9 NAP 0.00004963 0.42392 5.32319
194 3EGI ADP 0.001003 0.47769 5.33981
195 3EGV SAH 0.002187 0.43155 5.44218
196 5LOG SAH 0.0008693 0.44104 5.5794
197 3NJ4 NAD 0.0003738 0.51798 5.59701
198 3NJ4 AFX 0.0009783 0.49727 5.59701
199 3WGT QSC 0.0006163 0.47246 5.59701
200 3WGT FAD 0.000587 0.47246 5.59701
201 2E5V FAD 0.0004941 0.47178 5.59701
202 1VL0 NAI 0.006489 0.40217 5.59701
203 1VM6 NAD 0.000274 0.43547 5.70175
204 3CGD COA 0.001332 0.47556 5.97015
205 3CGD NAD 0.001332 0.47556 5.97015
206 3CGD FAD 0.001332 0.47556 5.97015
207 1PS9 FAD 0.0005646 0.46703 5.97015
208 1DJN ADP 0.00009299 0.46557 5.97015
209 1O94 ADP 0.0001027 0.45686 5.97015
210 4RPL FAD 0.006318 0.4362 5.97015
211 4RPL 3UC 0.008418 0.43225 5.97015
212 1LLU NAD 0.00001915 0.42986 5.97015
213 1PS9 NAP 0.001636 0.42881 5.97015
214 3OFK SAH 0.002749 0.41279 6.01852
215 3QV1 NAD 0.0009867 0.41401 6.09756
216 1P77 ATR 0.00002459 0.56069 6.34328
217 1X14 NAD 0.00003806 0.51008 6.34328
218 2CDC XYP 0.0007232 0.48083 6.34328
219 2WPF FAD 0.001524 0.47989 6.34328
220 2WPF WPF 0.001951 0.47614 6.34328
221 2CDC NAP 0.001156 0.47132 6.34328
222 2CDC XYS 0.001156 0.47132 6.34328
223 1N4W FAD 0.001002 0.45808 6.34328
224 3ITJ FAD 0.01161 0.4155 6.34328
225 4NZ6 DLY 0.03277 0.40344 6.34328
226 1JG3 ADN 0.0007971 0.44678 6.38298
227 1LDN NAD 0.00003662 0.50522 6.71642
228 4CNK FAD 0.0002182 0.48172 6.71642
229 1UP7 NAD 0.0001161 0.47523 6.71642
230 3ZNN FAD 0.0008979 0.47111 6.71642
231 3ZNN 4WL 0.0008979 0.47111 6.71642
232 1CDO NAD 0.0000634 0.45217 6.71642
233 3AYI HCI 0.002208 0.45077 6.71642
234 3AYI FAD 0.002119 0.45077 6.71642
235 1Y8Q ATP 0.0001832 0.44743 6.71642
236 2G5C NAD 0.00002941 0.44489 6.71642
237 4YNU LGC 0.002789 0.4428 6.71642
238 4YNU FAD 0.002317 0.4428 6.71642
239 2GLX NDP 0.002361 0.41894 6.71642
240 4RQU NAD 0.000009735 0.52617 7.08955
241 1QO8 FAD 0.0003659 0.4765 7.08955
242 1HYH NAD 0.00002286 0.44155 7.08955
243 5N53 8NB 0.002108 0.4638 7.17949
244 5MGZ SAH 0.005258 0.40755 7.20339
245 1RL4 BRR 0.004681 0.44318 7.44681
246 3GGO NAI 0.0003435 0.4766 7.46269
247 3GGO ENO 0.0003435 0.4766 7.46269
248 4C3Y FAD 0.0008404 0.45937 7.46269
249 4C3Y ANB 0.001526 0.45282 7.46269
250 4J56 FAD 0.001511 0.45111 7.46269
251 1NVT NAP 0.0009865 0.42016 7.46269
252 5E72 SAM 0.002357 0.41554 7.46269
253 1WG8 SAM 0.004655 0.40667 7.46269
254 5GT9 NAP 0.008152 0.40477 7.60456
255 4XUC SAM 0.002776 0.42862 7.79817
256 4XUC 43G 0.002776 0.42862 7.79817
257 2CDU FAD 0.0001033 0.4933 7.83582
258 2CDU ADP 0.00001392 0.47743 7.83582
259 1GET NAP 0.001085 0.47468 7.83582
260 1GET FAD 0.001014 0.47468 7.83582
261 3CIF NAD 0.000182 0.47226 7.83582
262 3CIF G3H 0.0004017 0.4663 7.83582
263 3GRU AMP 0.000825 0.4285 7.83582
264 2CVQ NDP 0.0002502 0.41944 7.83582
265 1WP4 NDP 0.0004508 0.4167 7.83582
266 2CVZ NDP 0.0007638 0.41358 7.83582
267 3GDN HBX 0.001816 0.45297 8.20895
268 3GDN FAD 0.001237 0.45297 8.20895
269 2Q0L NAP 0.004293 0.42229 8.20895
270 3S5W FAD 0.0001414 0.41767 8.20895
271 4GKV NAD 0.000004713 0.44844 8.33333
272 2HMT NAI 0.01492 0.43543 8.33333
273 1EJ0 SAM 0.002586 0.4023 8.33333
274 2DC1 NAD 0.0002787 0.424 8.47458
275 3GFB NAD 0.00003229 0.45704 8.58209
276 3NTD FAD 0.0008785 0.45516 8.58209
277 1XCL SAH 0.0002541 0.40606 8.93617
278 4D3F NAP 0.000885 0.43304 8.95522
279 2X6T NAP 0.003934 0.41702 8.95522
280 3C6K SPD 0.01167 0.4037 8.95522
281 3C6K MTA 0.01167 0.4037 8.95522
282 2YVJ FAD 0.001309 0.44641 9.17431
283 2YVJ NAI 0.0003397 0.43616 9.17431
284 3E1T FAD 0.0003039 0.48119 9.32836
285 3SSO SAH 0.0003935 0.47284 9.32836
286 4ZGS NAD 0.0005135 0.44649 9.32836
287 1JNR FAD 0.002693 0.45925 9.33333
288 1D4D FAD 0.0006994 0.46504 9.70149
289 1NYT NAP 0.000152 0.44399 9.70149
290 4J36 1HR 0.00008346 0.50622 10.0746
291 4J36 FAD 0.00004615 0.50411 10.0746
292 2B9W FAD 0.001456 0.46066 10.4478
293 5AYV KPL 0.003003 0.42833 10.4478
294 5AYV NAP 0.001594 0.42432 10.4478
295 4GUT FAD 0.0002883 0.48538 10.4839
296 4HSU FAD 0.0002597 0.48532 10.4839
297 1P1C SAH 0.0001096 0.47239 10.5528
298 5GZ6 NDP 0.001431 0.42803 11.194
299 4KRI SAH 0.005026 0.40513 11.194
300 5GZ6 7C3 0.003327 0.40419 11.194
301 2Z3Y F2N 0.0001706 0.49237 11.5672
302 1J49 NAD 0.00017 0.4253 11.5672
303 5ITV NAI 0.001113 0.44181 11.7647
304 2CUL FAD 0.0006051 0.45857 11.9403
305 2VHW NAI 0.00001758 0.42332 12.3134
306 3WLE NAD 0.00003285 0.41481 12.61
307 4RDH AMP 0.0001054 0.49578 13.0597
308 4D79 ATP 0.0002011 0.47291 13.0597
309 4RDI ATP 0.0002186 0.44161 13.0597
310 4JK3 NAD 0.000007612 0.48446 13.5135
311 1LSS NAD 0.000002023 0.54751 13.5714
312 4J4H 1J1 0.00003685 0.52556 13.8996
313 4J4H NAI 0.00003685 0.52556 13.8996
314 2VT3 ATP 0.000001817 0.59179 14.4186
315 3JV7 NAD 0.00001855 0.45194 14.5522
316 3AD8 NAD 0.0001143 0.40585 14.9254
317 2ZQO NGA 0.0165 0.41404 15.3846
318 3T7S SAM 0.002636 0.42407 16.0448
319 3G5S FAD 0.0004641 0.46611 16.4179
320 4YMH SAH 0.001613 0.42585 16.6667
321 4II2 ATP 0.0006774 0.44166 16.8675
322 3OID NDP 0.009836 0.40364 17.0543
323 2F5Z FAD 0.0001754 0.49183 17.1875
324 4OPC FDA 0.0007935 0.49468 17.5373
325 4OPC PGT 0.0009402 0.49451 17.5373
326 5BW4 SAM 0.004902 0.40245 23.97
327 4TXI FAD 0.0001936 0.40741 25.7463
328 1E6E FAD 0.00046 0.46503 26.5625
329 3H8V ATP 0.00002922 0.47522 32.1918
330 5L95 AMP 0.00009945 0.48133 33.6918
Pocket No.: 2; Query (leader) PDB : 5D4V; Ligand: YGP; Similar sites found: 4
This union binding pocket(no: 2) in the query (biounit: 5d4v.bio2) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1M4I PAP 0.009574 0.40151 2.76243
2 1M4I COA 0.009574 0.40151 2.76243
3 1M4I KAN 0.009574 0.40151 2.76243
4 1RX0 2MC 0.04408 0.40198 4.85075
Pocket No.: 3; Query (leader) PDB : 5D4V; Ligand: SAH; 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: 5d4v.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5D4V; Ligand: SAH; Similar sites found: 9
This union binding pocket(no: 4) in the query (biounit: 5d4v.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LZW FAD 0.01855 0.42294 2.23881
2 3WMX THR 0.02834 0.40914 2.61194
3 3R4S SIA 0.02187 0.40347 2.61194
4 4PLG OXM 0.01702 0.42377 2.98507
5 4PLG NAI 0.01702 0.42377 2.98507
6 2D3Y DU 0.02698 0.41262 5.02283
7 2V3V MGD 0.03513 0.40507 5.22388
8 1IY8 NAD 0.01037 0.40028 7.49064
9 1L3I SAH 0.002072 0.40254 11.4583
Pocket No.: 5; Query (leader) PDB : 5D4V; Ligand: SAH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5d4v.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5D4V; Ligand: YGP; Similar sites found: 1
This union binding pocket(no: 6) in the query (biounit: 5d4v.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1S7N COA 0.03694 0.40825 5.49451
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