Receptor
PDB id Resolution Class Description Source Keywords
1XDS 2.3 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF ACLACINOMYCIN-10-HYDROXYLASE (RDMB) IN COMPLEX WITH S-ADENOSYL-L-METHIONINE (SAM) AND 11-DEOXY- B ETA-RHODOMYCIN (DBRA) STREPTOMYCES PURPURASCENS ANTHRACYCLINE; HYDROXYLASE; S-ADENOSYL-L-METHIONINE; STREPTOMYCES; POLYKETIDE ANTIBIOTICS; DIVERGENT EVOLUTION STRUCTURAL PROTEOMICS IN EUROPE SPINE STRUCTURAL GENOMICSTRANSFERASE
Ref.: ACLACINOMYCIN 10-HYDROXYLASE IS A NOVEL SUBSTRATE-ASSISTED HYDROXYLASE REQUIRING S-ADENOSYL-L-METHIONINE AS COFACTOR J.BIOL.CHEM. V. 280 3636 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DRA A:5600;
B:9600;
Valid;
Valid;
none;
none;
submit data
769.831 C40 H51 N O14 CC[C@...
SAM A:5635;
B:9635;
Valid;
Valid;
none;
none;
submit data
398.437 C15 H22 N6 O5 S C[S@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XDS 2.3 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF ACLACINOMYCIN-10-HYDROXYLASE (RDMB) IN COMPLEX WITH S-ADENOSYL-L-METHIONINE (SAM) AND 11-DEOXY- B ETA-RHODOMYCIN (DBRA) STREPTOMYCES PURPURASCENS ANTHRACYCLINE; HYDROXYLASE; S-ADENOSYL-L-METHIONINE; STREPTOMYCES; POLYKETIDE ANTIBIOTICS; DIVERGENT EVOLUTION STRUCTURAL PROTEOMICS IN EUROPE SPINE STRUCTURAL GENOMICSTRANSFERASE
Ref.: ACLACINOMYCIN 10-HYDROXYLASE IS A NOVEL SUBSTRATE-ASSISTED HYDROXYLASE REQUIRING S-ADENOSYL-L-METHIONINE AS COFACTOR J.BIOL.CHEM. V. 280 3636 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1XDS - SAM C15 H22 N6 O5 S C[S@@+](CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 1XDS - SAM C15 H22 N6 O5 S C[S@@+](CC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 1XDS - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DRA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 DRA 1 1
2 AKY 0.81203 0.967213
3 AKA 0.757576 0.967213
4 3VL 0.535714 0.95082
5 AKT 0.489209 0.934426
Ligand no: 2; Ligand: SAM; Similar ligands found: 192
No: Ligand ECFP6 Tc MDL keys Tc
1 SAM 1 1
2 SMM 0.792683 0.96
3 S4M 0.6875 0.909091
4 S7M 0.670455 0.945946
5 M2T 0.636364 0.878378
6 GEK 0.612903 0.931507
7 SAI 0.571429 0.878378
8 XYA 0.565789 0.773333
9 ADN 0.565789 0.773333
10 RAB 0.565789 0.773333
11 5CD 0.564103 0.783784
12 EP4 0.5625 0.826667
13 SA8 0.56044 0.945205
14 SFG 0.555556 0.875
15 5X8 0.555556 0.888889
16 5N5 0.551282 0.773333
17 A4D 0.544304 0.797297
18 EEM 0.542553 0.945946
19 SAH 0.537634 0.916667
20 DTA 0.536585 0.789474
21 62X 0.535354 0.884615
22 MTA 0.53012 0.875
23 3DH 0.517647 0.849315
24 AMP MG 0.511364 0.710843
25 5AL 0.510417 0.743902
26 VMS 0.510204 0.673913
27 54H 0.510204 0.673913
28 0UM 0.51 0.857143
29 A 0.505747 0.707317
30 AMP 0.505747 0.707317
31 ABM 0.505618 0.753086
32 A5A 0.505155 0.688889
33 DAL AMP 0.50505 0.765432
34 NVA LMS 0.504951 0.725275
35 K15 0.5 0.883117
36 6RE 0.5 0.78481
37 5AD 0.5 0.75
38 SSA 0.5 0.684783
39 SON 0.5 0.746988
40 SRP 0.5 0.746988
41 LSS 0.49505 0.706522
42 CA0 0.494624 0.714286
43 A12 0.494505 0.705882
44 AP2 0.494505 0.705882
45 ME8 0.490385 0.841463
46 5CA 0.49 0.684783
47 TSB 0.49 0.681319
48 53H 0.49 0.666667
49 ACP 0.489362 0.694118
50 5AS 0.48913 0.648936
51 ADP 0.48913 0.690476
52 A2D 0.488889 0.690476
53 J7C 0.488889 0.772152
54 ZAS 0.488636 0.769231
55 8QN 0.485149 0.743902
56 GAP 0.484536 0.73494
57 AN2 0.483871 0.682353
58 A3S 0.483871 0.813333
59 A7D 0.483871 0.851351
60 GJV 0.483516 0.775
61 SRA 0.483146 0.694118
62 LAD 0.480769 0.752941
63 KAA 0.480769 0.698925
64 GSU 0.480769 0.722222
65 AMO 0.480392 0.746988
66 DSZ 0.480392 0.703297
67 52H 0.48 0.666667
68 ADP MG 0.478723 0.702381
69 M33 0.478723 0.722892
70 MAO 0.478261 0.82716
71 BA3 0.478261 0.690476
72 AOC 0.477778 0.776316
73 DSH 0.477778 0.842105
74 NEC 0.477778 0.75
75 SXZ 0.47619 0.894737
76 AHX 0.475728 0.701149
77 Y3J 0.47561 0.706667
78 G5A 0.474227 0.684783
79 A3T 0.473684 0.8
80 ADP BEF 0.473684 0.686047
81 BEF ADP 0.473684 0.686047
82 B4P 0.473118 0.690476
83 AP5 0.473118 0.690476
84 A3N 0.472527 0.766234
85 KB1 0.471698 0.833333
86 LEU LMS 0.471154 0.706522
87 APC 0.46875 0.705882
88 PRX 0.46875 0.73494
89 PAJ 0.466019 0.712644
90 4AD 0.466019 0.759036
91 RBY 0.463918 0.72619
92 ADP PO3 0.463918 0.728395
93 ADV 0.463918 0.72619
94 ADX 0.463158 0.666667
95 MHZ 0.463158 0.82716
96 AU1 0.463158 0.674419
97 YAP 0.462963 0.738095
98 TXA 0.462264 0.72619
99 NB8 0.462264 0.72093
100 A3G 0.461538 0.802632
101 VRT 0.459184 0.842105
102 ATP MG 0.459184 0.702381
103 YSA 0.458716 0.684783
104 XAH 0.458716 0.715909
105 50T 0.458333 0.682353
106 ATP 0.458333 0.690476
107 7D7 0.45679 0.723684
108 ANP MG 0.455446 0.678161
109 KH3 0.455357 0.871795
110 ACQ 0.454545 0.694118
111 AQP 0.453608 0.690476
112 5FA 0.453608 0.690476
113 AR6 0.453608 0.710843
114 APR 0.453608 0.710843
115 NSS 0.451923 0.703297
116 FA5 0.449541 0.746988
117 AGS 0.44898 0.678161
118 SAP 0.44898 0.678161
119 A5D 0.44898 0.789474
120 AD9 0.44898 0.674419
121 PTJ 0.448598 0.72093
122 YLB 0.448276 0.758621
123 YLP 0.447368 0.738636
124 D3Y 0.446602 0.792208
125 ADP ALF 0.445545 0.678161
126 ALF ADP 0.445545 0.678161
127 TYR AMP 0.445455 0.746988
128 MYR AMP 0.444444 0.776471
129 3AM 0.444444 0.674699
130 OAD 0.443396 0.73494
131 2VA 0.443299 0.779221
132 OOB 0.442308 0.722892
133 S8M 0.442308 0.831169
134 ADP VO4 0.441176 0.702381
135 VO4 ADP 0.441176 0.702381
136 ANP 0.44 0.674419
137 TAT 0.44 0.686047
138 WAQ 0.439252 0.75
139 ARG AMP 0.438596 0.727273
140 YLC 0.435897 0.755814
141 AAT 0.435644 0.797468
142 3OD 0.435185 0.73494
143 1ZZ 0.435185 0.755814
144 NVA 2AD 0.434343 0.815789
145 DLL 0.433962 0.722892
146 00A 0.433962 0.689655
147 7MD 0.433628 0.715909
148 ATF 0.431373 0.666667
149 SO8 0.43 0.792208
150 3UK 0.429907 0.714286
151 A6D 0.429907 0.72619
152 5SV 0.428571 0.741176
153 AMP DBH 0.428571 0.714286
154 WSA 0.42735 0.692308
155 TYM 0.42735 0.746988
156 9SN 0.427273 0.681818
157 AHZ 0.426087 0.755814
158 A A 0.425926 0.710843
159 3NZ 0.425926 0.807692
160 P5A 0.425926 0.691489
161 PR8 0.425926 0.744186
162 A1R 0.424528 0.709302
163 2A5 0.424242 0.674419
164 7MC 0.423729 0.719101
165 7D5 0.422222 0.658824
166 FYA 0.422018 0.722892
167 JB6 0.422018 0.709302
168 AYB 0.421488 0.75
169 PLP AAD 0.419355 0.764045
170 A22 0.419048 0.682353
171 MAP 0.419048 0.659091
172 2AM 0.417582 0.666667
173 TAD 0.417391 0.712644
174 A3P 0.416667 0.686747
175 ADP BMA 0.416667 0.714286
176 25A 0.415094 0.690476
177 YLA 0.413223 0.719101
178 ADQ 0.411215 0.694118
179 48N 0.410256 0.72093
180 0XU 0.41 0.824324
181 NAD IBO 0.406504 0.717647
182 7D3 0.40625 0.643678
183 PAP 0.405941 0.678571
184 OVE 0.404255 0.662791
185 4UV 0.403509 0.697674
186 ALF ADP 3PG 0.403361 0.712644
187 AF3 ADP 3PG 0.403361 0.712644
188 LA8 ALF 3PG 0.403361 0.712644
189 3AD 0.402299 0.783784
190 CMP 0.402062 0.691358
191 2BA 0.402062 0.682927
192 7C5 0.4 0.731707
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XDS; Ligand: DRA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1xds.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XDS; Ligand: SAM; Similar sites found: 525
This union binding pocket(no: 2) in the query (biounit: 1xds.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5A3B APR 0.01446 0.40751 0.990099
2 2RGO FAD 0.01859 0.41378 1.15321
3 2UYQ SAM 0.000002004 0.4938 1.29032
4 1GPE FAD 0.003846 0.45563 1.3369
5 5MBX FAD 0.02835 0.41749 1.3369
6 5MBX SP5 0.02835 0.41749 1.3369
7 3OZ2 FAD 0.01945 0.41565 1.3369
8 2XVF FAD 0.02265 0.40951 1.3369
9 2XVE FAD 0.04911 0.40811 1.3369
10 4BLW AMP 0.000632 0.4826 1.38408
11 4BLW SAH 0.0004717 0.47835 1.38408
12 1H2B NAJ 0.02512 0.40316 1.39276
13 1ORR NAD 0.001171 0.46823 1.44092
14 3FZG SAM 0.0001858 0.46613 1.5
15 2YY7 NAD 0.01141 0.41763 1.60256
16 4POO SAM 0.002363 0.44188 1.60428
17 2ZWI C5P 0.003227 0.41054 1.60858
18 1RLZ NAD 0.005345 0.43361 1.62602
19 1WVG APR 0.003858 0.4334 1.67131
20 1SB8 NAD 0.005376 0.45001 1.70455
21 1SB8 UD2 0.006225 0.45001 1.70455
22 3I6I NDP 0.02349 0.40968 1.7341
23 4EA7 JB2 0.01485 0.42153 1.81818
24 2EFJ SAH 0.000001963 0.57118 1.87166
25 4HXY NDP 0.005506 0.43299 1.87166
26 2ZJ1 NAD 0.01808 0.42547 1.87166
27 3AB1 FAD 0.02565 0.4096 1.94444
28 1S7G APR 0.01162 0.41961 1.97628
29 1S7G NAD 0.01148 0.41751 1.97628
30 1R6D NAD 0.006169 0.45098 2.07715
31 1R6D DAU 0.005959 0.45098 2.07715
32 1RJD SAM 0.00001491 0.53877 2.09581
33 4MDH NAD 0.0131 0.41092 2.09581
34 5MDH NAD 0.01041 0.41572 2.1021
35 3LZW NAP 0.0301 0.41811 2.10843
36 3LZW FAD 0.0193 0.41394 2.10843
37 3GCZ SAM 0.00005448 0.5079 2.13904
38 3EVF GTA 0.0004399 0.49656 2.13904
39 3EVF SAH 0.0003705 0.49656 2.13904
40 5CUQ NSC 0.0003397 0.49296 2.13904
41 3L9W AMP 0.0003345 0.49182 2.13904
42 2P41 SAH 0.0001403 0.48904 2.13904
43 1QAN SAH 0.0002034 0.48817 2.13904
44 5JJR SAH 0.0002813 0.47518 2.13904
45 3L9W GSH 0.001124 0.4635 2.13904
46 3HDY FDA 0.004991 0.46079 2.13904
47 3HDY GDU 0.005142 0.46079 2.13904
48 3HDY FAD 0.004995 0.46077 2.13904
49 3QVP FAD 0.003867 0.45366 2.13904
50 2HQM FAD 0.005599 0.44465 2.13904
51 5BR7 FLC 0.01031 0.44435 2.13904
52 5BR7 FAD 0.01031 0.44435 2.13904
53 3KLJ FAD 0.007222 0.4297 2.13904
54 5HSA FAS 0.01096 0.42909 2.13904
55 3K7M FAD 0.01865 0.42623 2.13904
56 3EYA FAD 0.009863 0.42533 2.13904
57 5FJN FAD 0.02252 0.41423 2.13904
58 5FJN BE2 0.02521 0.41423 2.13904
59 3AYI HCI 0.03533 0.41183 2.13904
60 3AYI FAD 0.03427 0.41183 2.13904
61 5BW4 SAM 0.000007526 0.54457 2.24719
62 4M38 SAH 0.0001223 0.49635 2.33236
63 4M37 SAH 0.0001114 0.49598 2.33236
64 1XHL NDP 0.004072 0.44061 2.3569
65 4ZA2 NAD 0.005214 0.4315 2.37154
66 1U2Z SAH 0.0006697 0.4659 2.40642
67 2WPF FAD 0.01119 0.45651 2.40642
68 5JAQ NAI 0.00288 0.45606 2.40642
69 2WPF WPF 0.01687 0.44854 2.40642
70 3G5S FAD 0.005292 0.44083 2.40642
71 1OC2 NAD 0.01382 0.43438 2.40642
72 1OC2 TDX 0.01382 0.43438 2.40642
73 1ZMD FAD 0.009736 0.43348 2.40642
74 5EB4 FAD 0.009527 0.43118 2.40642
75 4MO2 FDA 0.008517 0.43061 2.40642
76 4EIP FAD 0.01818 0.42228 2.40642
77 4EIP K2C 0.01818 0.42228 2.40642
78 1H82 GZZ 0.02832 0.42137 2.40642
79 1H82 FAD 0.0246 0.42137 2.40642
80 3S5W FAD 0.01145 0.41755 2.40642
81 2Q28 ADP 0.008765 0.40838 2.40642
82 2WME NAP 0.01111 0.4018 2.40642
83 1Z45 NAD 0.02437 0.4004 2.40642
84 3U31 NAD 0.002629 0.43629 2.41379
85 1NJR XYL 0.007034 0.42388 2.46479
86 2RH4 EMO 0.01462 0.42628 2.52708
87 1BXK NAD 0.006497 0.4269 2.53521
88 5HJM MTA 0.00005068 0.46656 2.55682
89 3RIY NAD 0.01451 0.41134 2.5641
90 3QWI NAP 0.009812 0.42202 2.59259
91 3QWI CUE 0.01515 0.42202 2.59259
92 2EXX NAP 0.01285 0.41857 2.61438
93 5X62 SAH 0.000001773 0.5732 2.6738
94 2Q1W NAD 0.00151 0.46153 2.6738
95 2EJU SAH 0.0008299 0.45361 2.6738
96 1GET FAD 0.01938 0.43244 2.6738
97 1GET NAP 0.02419 0.42849 2.6738
98 2IVD FAD 0.009929 0.42626 2.6738
99 2AQJ TRP 0.03054 0.41777 2.6738
100 2AQJ FAD 0.0314 0.41777 2.6738
101 3OND ADN 0.04368 0.4035 2.6738
102 3OND NAD 0.04368 0.4035 2.6738
103 2YX1 SFG 0.0005837 0.45349 2.67857
104 3BGD SAH 0.00007276 0.51112 2.69231
105 3BGD PM6 0.0001052 0.51112 2.69231
106 3SJ7 NDP 0.01556 0.40862 2.77778
107 2CFC NAD 0.009011 0.42006 2.8
108 4BUZ NAD 0.0123 0.41224 2.84553
109 4BUZ OCZ 0.01473 0.41224 2.84553
110 4BUZ OAD 0.01473 0.41224 2.84553
111 1YC5 NCA 0.02115 0.4009 2.84553
112 3LCV SAM 0.000007526 0.55733 2.84698
113 1XKQ NDP 0.002577 0.45153 2.85714
114 5E72 SAM 0.00006463 0.51141 2.89017
115 5KOK SAH 0.0000006908 0.5979 2.94118
116 5KOK R9T 0.0000153 0.55992 2.94118
117 5KOK S9T 0.0000165 0.55992 2.94118
118 4UCI SAM 0.001288 0.44691 2.94118
119 3VSE SAH 0.00079 0.44209 2.94118
120 1V59 FAD 0.007662 0.4405 2.94118
121 2V3V MGD 0.01697 0.43833 2.94118
122 4M52 FAD 0.008211 0.4363 2.94118
123 4HA6 FAD 0.00863 0.43612 2.94118
124 3GDN FAD 0.01047 0.43099 2.94118
125 3GDN HBX 0.01412 0.43099 2.94118
126 4RSL FAD 0.009017 0.42833 2.94118
127 2A8X FAD 0.01298 0.42719 2.94118
128 4U7W NDP 0.01102 0.41452 2.94118
129 1RM0 D6P 0.03354 0.41017 2.94118
130 1RM0 NAI 0.03212 0.40885 2.94118
131 2QA1 FAD 0.02195 0.40818 2.94118
132 3NYC FAD 0.04025 0.4075 2.94118
133 3NYC IAR 0.04025 0.4075 2.94118
134 5LD8 6U5 0.04105 0.40635 2.94118
135 2EG5 SAH 0.000003936 0.55121 2.95699
136 3LCC SAH 0.000000195 0.61693 2.97872
137 5MF6 7M2 0.01047 0.41945 2.98013
138 5MF6 AR6 0.01047 0.41945 2.98013
139 2DTX BMA 0.001703 0.46739 3.0303
140 3ZG6 APR 0.0114 0.40481 3.04054
141 3GRU AMP 0.002067 0.44293 3.05085
142 1ZEM NAD 0.01617 0.40519 3.05344
143 4PIO SAH 0.000004097 0.58947 3.09598
144 4PIO AVI 0.00000378 0.58947 3.09598
145 4RDI ATP 0.007676 0.4092 3.125
146 4RDH AMP 0.008226 0.40384 3.125
147 2WSB NAD 0.02126 0.41371 3.14961
148 3GU3 SAH 0.0000001936 0.58744 3.16901
149 4G74 FAD 0.004799 0.44184 3.18725
150 4G74 UQ5 0.008605 0.43963 3.18725
151 3VC1 SAH 0.00005016 0.54464 3.20513
152 3VC1 GST 0.00005016 0.54464 3.20513
153 3NDJ SAH 0.002098 0.46984 3.20856
154 3NDJ JHZ 0.002098 0.46984 3.20856
155 4RPL 3UC 0.007068 0.45612 3.20856
156 4RPL FAD 0.007633 0.45248 3.20856
157 1ELI PYC 0.005041 0.44294 3.20856
158 1I2B NAD 0.01492 0.43196 3.20856
159 4OPC FDA 0.03635 0.42981 3.20856
160 4OPC PGT 0.04068 0.42981 3.20856
161 4MIG G3F 0.01577 0.42701 3.20856
162 1Q9I TEO 0.02002 0.4267 3.20856
163 2BD0 NAP 0.01161 0.41847 3.20856
164 5JCM ISD 0.03675 0.41714 3.20856
165 5JCM NAD 0.03675 0.41714 3.20856
166 5JCM FAD 0.03585 0.41714 3.20856
167 2VVL FAD 0.02057 0.41533 3.20856
168 2VVM FAD 0.02151 0.41346 3.20856
169 2JHP SAH 0.006363 0.41098 3.20856
170 1V8B NAD 0.02122 0.40993 3.20856
171 4AT0 FAD 0.03936 0.40584 3.20856
172 2Q0L FAD 0.008965 0.43345 3.21543
173 3JWH SAH 0.0000003789 0.58541 3.22581
174 1UDB NAD 0.00505 0.45387 3.25444
175 4D79 ATP 0.008993 0.40603 3.26087
176 1X87 NAD 0.002241 0.44128 3.26679
177 1HDR NAD 0.03768 0.40755 3.27869
178 1AE1 NAP 0.007661 0.42845 3.2967
179 4RVG TYD 0.0005765 0.49515 3.47594
180 4RVG SAM 0.0005219 0.49515 3.47594
181 3GF4 FAD 0.004348 0.45956 3.47594
182 2ZXI FAD 0.002541 0.45657 3.47594
183 3GF4 UPG 0.006589 0.45244 3.47594
184 2BRY FAD 0.005222 0.43657 3.47594
185 2IV2 MGD 0.01131 0.42347 3.47594
186 2R4J FAD 0.02123 0.42261 3.47594
187 2R4J 13P 0.02123 0.42261 3.47594
188 2Y6Q I7T 0.02792 0.41275 3.47594
189 2Y6Q FAD 0.0152 0.41275 3.47594
190 2JJQ SAH 0.008666 0.40067 3.47594
191 1TPY SAH 0.0004361 0.47272 3.48432
192 5FTW SAH 0.0001417 0.49339 3.51562
193 5GWX SAR 0.0000505 0.5245 3.52113
194 5GWX SAM 0.0000505 0.5245 3.52113
195 3MB5 SAM 0.0001062 0.50341 3.52941
196 1I8T FAD 0.00479 0.44508 3.54223
197 3FRH SAH 0.000006165 0.56139 3.55731
198 3ZV6 NAD 0.005462 0.44423 3.55872
199 3ZV6 4HB 0.005708 0.44423 3.55872
200 1ZK4 NAP 0.009069 0.4282 3.58566
201 3EVG SAH 0.0001052 0.49477 3.63636
202 4DCM SAM 0.005315 0.41247 3.73333
203 4TXI FAD 0.009609 0.42247 3.73984
204 5F8F SFG 0.00001974 0.52265 3.74332
205 5ULP KB1 0.00018 0.4946 3.74332
206 4AZT SAM 0.0001809 0.48397 3.74332
207 4AZW SAM 0.0002837 0.47724 3.74332
208 3LKZ SFG 0.0004891 0.46633 3.74332
209 5WGR FAD 0.005298 0.4439 3.74332
210 5U8U FAD 0.0159 0.43638 3.74332
211 3S1S SAH 0.00384 0.4303 3.74332
212 4JDR FAD 0.01378 0.42409 3.74332
213 1T9D P25 0.04467 0.41927 3.74332
214 1T9D FAD 0.01707 0.4185 3.74332
215 2E5V FAD 0.02362 0.41403 3.74332
216 3H8V ATP 0.007701 0.40913 3.76712
217 1G55 SAH 0.0001431 0.44671 3.79009
218 1LLU NAD 0.01776 0.41166 3.80117
219 1D4O NAP 0.01262 0.41035 3.80435
220 5JCA FAD 0.0398 0.40166 3.87324
221 2PWY SAH 0.0003425 0.47956 3.87597
222 2BZG SAH 0.0000867 0.49864 3.87931
223 5ITV NAI 0.01433 0.41282 3.92157
224 5UWA 8ND 0.02331 0.40134 3.94089
225 3EWP APR 0.02065 0.4001 3.9548
226 2VDV SAM 0.0000001054 0.62198 4.01069
227 1GY8 NAD 0.001966 0.45463 4.01069
228 2Q7V FAD 0.01214 0.42685 4.01069
229 1U1I NAD 0.008911 0.42638 4.01069
230 2YG3 FAD 0.01398 0.42285 4.01069
231 1LVL FAD 0.02764 0.41056 4.01069
232 4USQ FAD 0.01898 0.41024 4.01069
233 1GTE FAD 0.04713 0.40906 4.01069
234 5BUK FAD 0.03615 0.40543 4.01069
235 2ZIF SAM 0.0003044 0.47584 4.0404
236 5WDR GNP 0.01701 0.40276 4.09357
237 1KPH SAH 0.0005505 0.468 4.18118
238 1KPG SAH 0.0004312 0.41944 4.18118
239 1E3W NAD 0.003313 0.44233 4.21456
240 1Q0S SAH 0.0009591 0.46035 4.2471
241 5DLY 5D7 0.000149 0.51989 4.27807
242 5DLY SAH 0.0001323 0.51989 4.27807
243 5BVA FAD 0.003326 0.4579 4.27807
244 4YNU FAD 0.004839 0.44969 4.27807
245 4YNU LGC 0.005667 0.44969 4.27807
246 1BZL FAD 0.0156 0.44955 4.27807
247 2NVK FAD 0.004777 0.44714 4.27807
248 4C3Y FAD 0.004878 0.44668 4.27807
249 4C3Y ANB 0.006015 0.44668 4.27807
250 3DMH SAM 0.0001124 0.44078 4.27807
251 3LAD FAD 0.01283 0.42655 4.27807
252 2C5A GDC 0.03421 0.41256 4.27807
253 2C5A NAD 0.03421 0.41256 4.27807
254 4MOP 2H5 0.04225 0.40709 4.27807
255 1I9G SAM 0.001077 0.45248 4.28571
256 1COY AND 0.02236 0.4242 4.33925
257 1COY FAD 0.02333 0.41258 4.33925
258 1NW5 SAM 0.004294 0.42273 4.38871
259 3O7W SAM 0.000003703 0.5524 4.42177
260 1I1N SAH 0.00003465 0.53415 4.42478
261 2CDU FAD 0.004821 0.44174 4.42478
262 4QTU SAM 0.000003155 0.56745 4.44444
263 3ML1 MGD 0.03359 0.42198 4.44444
264 3O03 NAP 0.002499 0.4439 4.46735
265 3A4T SFG 0.0002983 0.48042 4.54545
266 1V5F FAD 0.01152 0.44313 4.54545
267 1YBH FAD 0.007917 0.43422 4.54545
268 3E1T FAD 0.01022 0.43241 4.54545
269 1G0N NDP 0.008979 0.4305 4.54545
270 1G0N PHH 0.01134 0.42834 4.54545
271 1NAA ABL 0.02567 0.41905 4.54545
272 1NAA 6FA 0.0188 0.41905 4.54545
273 4J36 FAD 0.02753 0.4012 4.54545
274 1GR0 NAD 0.02517 0.40419 4.63215
275 4EMI FAD 0.03231 0.40273 4.63415
276 4EMJ FAD 0.03573 0.40144 4.63415
277 2GN4 NDP 0.003903 0.48412 4.65116
278 2GN4 UD1 0.01388 0.45525 4.65116
279 3OID NDP 0.01909 0.40903 4.65116
280 1XCL SAH 0.002749 0.4489 4.68085
281 1DUG GSH 0.02031 0.40984 4.70085
282 5M58 SAH 0.000007962 0.54889 4.78261
283 4ZRN UPG 0.006395 0.44701 4.80769
284 4ZRN NAD 0.004057 0.44312 4.80769
285 1UWK NAD 0.001157 0.48195 4.81283
286 1UWK URO 0.001157 0.48195 4.81283
287 4DMG SAM 0.003283 0.4241 4.81283
288 1EU1 MGD 0.01222 0.42284 4.81283
289 1E1M NAP 0.03077 0.41495 4.81283
290 1E1M FAD 0.03077 0.41495 4.81283
291 2HMT NAI 0.00208 0.44104 4.86111
292 1U7T TDT 0.003794 0.45214 4.98084
293 2XVM SAH 0.0000297 0.5117 5.02513
294 5DNK SAH 0.00001938 0.50308 5.08021
295 3PT9 SAH 0.0004113 0.4676 5.08021
296 4KGD FAD 0.01788 0.43602 5.08021
297 4KGD TDP 0.01744 0.43602 5.08021
298 3RNM FAD 0.01033 0.43218 5.08021
299 1YY5 FAD 0.01149 0.43073 5.08021
300 1RSG FAD 0.01127 0.4294 5.08021
301 3OFK SAH 0.001573 0.42077 5.09259
302 2IVF MGD 0.03258 0.40255 5.11364
303 2ZFU SAH 0.00003172 0.52356 5.11628
304 2PXX SAH 0.00004862 0.51261 5.11628
305 2PZM UDP 0.005539 0.44582 5.15152
306 2PZM NAD 0.005539 0.44582 5.15152
307 1ZBQ NAD 0.02243 0.40448 5.19878
308 5XVK SAH 0.00008688 0.5075 5.28169
309 3PFG TLO 0.00002578 0.55902 5.32319
310 3PFG SAM 0.001217 0.50656 5.32319
311 1PR9 NAP 0.01848 0.40972 5.32787
312 3D3W NAP 0.02318 0.40489 5.32787
313 3ELW SAM 0.0002586 0.51037 5.33333
314 3ELW GP3 0.0002912 0.50893 5.33333
315 2ZWA SAH 0.00009782 0.50301 5.34759
316 1KNR FAD 0.0052 0.44431 5.34759
317 4YMH SAH 0.002148 0.43856 5.34759
318 1H0H MGD 0.0171 0.41458 5.34759
319 2AE2 PTO 0.01496 0.42138 5.38462
320 2AE2 NAP 0.01496 0.42138 5.38462
321 3DXY SAM 0.00000104 0.56671 5.50459
322 1P1C SAH 0.005267 0.42385 5.52764
323 5THZ SAH 0.0002196 0.48862 5.61497
324 5THY SAH 0.0002726 0.48019 5.61497
325 5T67 SAH 0.001546 0.47055 5.61497
326 5T67 JHZ 0.001947 0.47055 5.61497
327 3AD8 FAD 0.01027 0.44698 5.61497
328 3AD8 PYC 0.01027 0.44698 5.61497
329 1N4W FAD 0.00722 0.44002 5.61497
330 1REO FAD 0.007942 0.43415 5.61497
331 1KEW NAD 0.01689 0.427 5.61497
332 5KMS FAD 0.01396 0.41894 5.61497
333 3AD8 NAD 0.02752 0.40227 5.61497
334 4USR FAD 0.02833 0.40058 5.61497
335 5DM1 SAH 0.000007169 0.5838 5.61798
336 5DM1 5D7 0.000007669 0.5838 5.61798
337 3A25 SAM 0.0008024 0.45428 5.64784
338 2A14 SAH 0.0005457 0.46817 5.70342
339 1R37 NAD 0.005342 0.43728 5.76369
340 3TKA SAM 0.003955 0.42623 5.76369
341 1NFQ NAI 0.0195 0.40745 5.76923
342 3P2E SAH 0.00004035 0.51871 5.77778
343 1WY7 SAH 0.0005902 0.46659 5.7971
344 4N49 SAM 0.0003581 0.47469 5.88235
345 3C6K SPD 0.002459 0.45614 5.88235
346 3C6K MTA 0.002459 0.45614 5.88235
347 1FL2 FAD 0.03241 0.40359 5.88235
348 4JNA FAD 0.04252 0.40019 5.88235
349 5JWC FAD 0.007501 0.43118 5.9501
350 1H5Q NAP 0.02149 0.40424 6.03774
351 1XSE NDP 0.02219 0.41278 6.1017
352 4J56 FAD 0.01461 0.42545 6.14035
353 1Q1R FAD 0.01337 0.4209 6.14973
354 2AOT SAH 0.00002747 0.51615 6.16438
355 1JQD HSM 0.00003031 0.42963 6.16438
356 1JQD SAH 0.00009714 0.40095 6.16438
357 2QQF A1R 0.005261 0.42701 6.16883
358 2OD9 A1R NCA 0.006956 0.42679 6.16883
359 3A27 SAM 0.0004786 0.46458 6.25
360 5L95 AMP 0.006177 0.41543 6.25
361 4W6Z 8ID 0.0239 0.40736 6.34006
362 5MGZ SAH 0.000001006 0.59037 6.35593
363 1SZD APR 0.01081 0.42337 6.39731
364 4LWP SAH 0.0009517 0.45088 6.41711
365 3SSO SAH 0.002444 0.43595 6.41711
366 4XQC NAD 0.01697 0.4213 6.41711
367 4XQC 13D 0.03218 0.40801 6.41711
368 3MQ2 SAH 0.00002886 0.51794 6.42202
369 2YVJ FAD 0.01635 0.41656 6.42202
370 3G89 SAM 0.0000005868 0.58841 6.4257
371 1M2K APR 0.01557 0.40731 6.4257
372 2FK8 SAM 0.0006451 0.41999 6.60377
373 3FUU ADN 0.0004603 0.46754 6.64207
374 3QOX SAH 0.00001286 0.54642 6.68449
375 4KRG SAH 0.00001635 0.5292 6.68449
376 1ZQ9 SAM 0.001973 0.43634 6.68449
377 3NKS FAD 0.01462 0.41898 6.68449
378 1Z3C SA8 0.00001101 0.56167 6.71141
379 1SQF SAM 0.0009324 0.45128 6.95187
380 1ZK7 FAD 0.01801 0.42167 6.95187
381 3NTA FAD 0.02296 0.41017 6.95187
382 3NT6 FAD 0.02871 0.40531 6.95187
383 1WG8 SAM 0.00009696 0.50726 7.01754
384 3EGV SAH 0.002074 0.43324 7.08661
385 2NXE SAM 0.0009326 0.42359 7.08661
386 2WK1 SAH 0.009403 0.40872 7.0922
387 2Q46 NAP 0.00968 0.41857 7.11462
388 1LSS NAD 0.0003224 0.47681 7.14286
389 4C4A SAH 0.0001417 0.49116 7.21925
390 1Y8Q ATP 0.002362 0.44189 7.21925
391 2PX8 SAH 0.001551 0.44114 7.21925
392 4II2 ATP 0.003864 0.4267 7.21925
393 1D4D FAD 0.01557 0.4232 7.21925
394 2C7G ODP 0.03909 0.4102 7.21925
395 2C7G FAD 0.04023 0.4102 7.21925
396 1TMO 2MD 0.02557 0.40688 7.21925
397 5JE0 AZ8 0.0002249 0.50015 7.28745
398 5JE0 SAH 0.0002249 0.50015 7.28745
399 5LW0 AR6 0.006186 0.42215 7.35931
400 3H2B SAH 0.00006624 0.50641 7.38916
401 3LU1 NAD 0.01153 0.41617 7.41758
402 5MW4 5JU 0.00004225 0.54835 7.48503
403 3TLJ SAH 0.000006976 0.55887 7.48663
404 1F3L SAH 0.0001269 0.49774 7.48663
405 4TQG NDP 0.0002186 0.4976 7.48663
406 1PN0 FAD 0.008403 0.44015 7.48663
407 1PN0 IPH 0.008719 0.44015 7.48663
408 3VYW SAM 0.007168 0.41421 7.48663
409 1N2X SAM 0.0003337 0.48009 7.6412
410 1FEC FAD 0.001476 0.47757 7.75401
411 5N5D SAM 0.008105 0.40996 7.75401
412 1E6E FAD 0.01173 0.42269 7.8125
413 5F2K SAH 0.0004668 0.48626 7.88043
414 5F2K OCA 0.0004668 0.48626 7.88043
415 2WA2 SAM 0.0004555 0.46328 8.02139
416 1QO8 FAD 0.005517 0.44497 8.02139
417 5O4J 9KH 0.00407 0.44306 8.0292
418 5O4J SAH 0.00407 0.44306 8.0292
419 3FPF TNA 0.0003753 0.49999 8.05369
420 3FPF MTA 0.0003753 0.49999 8.05369
421 5LAU AR6 0.004303 0.42959 8.17308
422 1NV8 SAM 0.0002577 0.49417 8.28877
423 1NV8 MEQ 0.0002381 0.49417 8.28877
424 3X0D SAH 0.0001912 0.48515 8.28877
425 5KVA SAM 0.01335 0.40325 8.28877
426 5L13 6ZE 0.04979 0.40268 8.28877
427 2OBF F83 0.0001989 0.51721 8.3045
428 2OBF SAH 0.0001989 0.51721 8.3045
429 1L1E SAH 0.0003933 0.4728 8.36237
430 2DKH 3HB 0.01487 0.42056 8.55615
431 2DKH FAD 0.01124 0.4203 8.55615
432 3HVJ 705 0.003197 0.45164 8.59729
433 4NEC SAH 0.000003579 0.54043 8.71212
434 5FA5 MTA 0.0001154 0.4879 8.71935
435 3EGI ADP 0.00009776 0.45921 8.73786
436 2DPM SAM 0.0006219 0.46552 8.80282
437 1G60 SAM 0.000992 0.45214 8.84615
438 5UAO FAD 0.0199 0.41328 9.09091
439 4RIF 3R2 0.01983 0.40094 9.09091
440 4GQB 0XU 0.00002897 0.53198 9.30233
441 2O07 SPD 0.0005314 0.48063 9.35829
442 2O07 MTA 0.0004575 0.48063 9.35829
443 2PT9 2MH 0.001932 0.45888 9.35829
444 2PT9 S4M 0.00119 0.45761 9.35829
445 2I7C AAT 0.003219 0.44682 9.35829
446 5JGL SAM 0.00007183 0.49987 9.68858
447 1VE3 SAM 0.000006679 0.54974 9.69163
448 1EFV FAD 0.005426 0.45609 9.80392
449 1EFV AMP 0.007215 0.44969 9.80392
450 3T7S SAM 0.000001264 0.58292 9.89305
451 1DL5 SAH 0.0002134 0.49473 9.89305
452 5XLX SAH 0.000139 0.48924 10.2837
453 4YUW S4M 0.006947 0.47045 10.4278
454 4YUW 4JU 0.007075 0.47045 10.4278
455 2NPX NAD 0.02139 0.42586 10.4278
456 2NPX FAD 0.01062 0.42586 10.4278
457 3OU2 SAH 0.00001159 0.44956 10.5505
458 4EUE NAI 0.001472 0.46206 10.6952
459 3QFA FAD 0.01645 0.42112 11.2069
460 3BXO SAM 0.000001881 0.56564 11.2299
461 3G2O SAM 0.000003537 0.51792 11.3712
462 1XTP SAI 0.0000488 0.5101 11.4973
463 5E9W SAH 0.00004805 0.49592 11.4973
464 1NM5 NAP 0.02681 0.41666 11.8227
465 1NM5 NAD 0.02837 0.41609 11.8227
466 5K8V 6RE 0.0003821 0.51382 12.2995
467 5MPT SAH 0.0003297 0.47201 12.2995
468 2F5Z FAD 0.01426 0.42512 12.5
469 5DX1 SFG 0.0002651 0.48849 12.6074
470 5DWQ SFG 0.0005213 0.47283 12.6074
471 5DX0 SFG 0.0005695 0.47277 12.6074
472 5DXA SFG 0.0004913 0.47221 12.6074
473 5DX8 SFG 0.0005468 0.47003 12.6074
474 4X7Y SAH 0.01772 0.41859 12.7737
475 4OBW SAM 0.00004624 0.51117 12.8342
476 3DUW SAH 0.005936 0.41623 12.8342
477 4IWN GEK 0.000008951 0.5538 13.1004
478 1HDO NAP 0.0106 0.42268 13.1068
479 4XUC SAM 0.002198 0.45614 13.3028
480 4XUC 43G 0.002198 0.45614 13.3028
481 1EJ0 SAM 0.0004152 0.46741 13.3333
482 4R6W SAH 0.00002077 0.55182 13.6364
483 4R6W PC 0.00006363 0.55182 13.6364
484 1BC5 SAH 0.0009542 0.45868 13.7546
485 5LOG SAH 0.003905 0.42464 14.1631
486 4CNK FAD 0.01027 0.4276 14.4385
487 1PNO NAP 0.007844 0.42427 14.4444
488 2OOR TXP 0.008649 0.41958 14.9425
489 2O5L MNR 0.009541 0.40091 15.0327
490 4FZV SAM 0.0006398 0.46299 15.0628
491 1L3I SAH 0.000418 0.48085 15.1042
492 3IHG FAD 0.0199 0.40345 15.2406
493 1IM8 SAI 0.00004901 0.51479 15.5738
494 5E8J SAH 0.00007683 0.49313 15.9091
495 4KIB SAH 0.000003773 0.55824 16.2465
496 3GDH SAH 0.00001495 0.44905 16.5975
497 1DJL NAP 0.01316 0.41695 16.9082
498 4PNE SAH 0.000004293 0.56876 17.2185
499 4Y2H SAH 0.0003128 0.50391 17.3295
500 4Y2H 49K 0.0005032 0.49367 17.3295
501 4M73 SAH 0.000005693 0.58571 17.8042
502 4M73 M72 0.000006829 0.58336 17.8042
503 3Q87 SAM 0.01141 0.40803 18.4
504 4ONQ SFG 0.002185 0.4343 18.7675
505 2HNK SAH 0.01079 0.40593 18.8285
506 5GM1 SAH 0.000002745 0.57787 19.2513
507 4KRI SAH 0.000004459 0.56311 19.2513
508 3P9C SAH 0.000000005977 0.72355 19.7802
509 5XVQ SAH 0.0003385 0.4798 20.4225
510 5E1M SAH 0.0004667 0.48903 21.5768
511 5E1M PRO PRO LYS ARG ILE ALA 0.0004667 0.48903 21.5768
512 1R18 SAH 0.00005848 0.51344 22.0264
513 3TKY SAH 0.00000000001703 0.81062 25.8152
514 1KYZ FER 0.00000004646 0.67133 26.3014
515 1KYZ SAH 0.00000002394 0.66198 26.3014
516 1JG3 ADN 0.00004672 0.51096 27.234
517 4A6D SAM 0.000000000164 0.76522 28.3286
518 5FA8 SAM 0.00001035 0.55083 30.4348
519 1FP2 SAH 0.0000164 0.5616 30.6818
520 4E70 N7I 0.000000007746 0.51444 33.4225
521 3GWZ SAH 0.000000000008594 0.80599 36.3144
522 3GXO SAH 0.00000000006731 0.77043 36.3144
523 1FP1 SAH 0.000000000239 0.74549 36.3636
524 1ZGA SAH 0.00000007583 0.62841 40.3361
525 3LST SAH 0.0000000002556 0.73968 43.1034
Pocket No.: 3; Query (leader) PDB : 1XDS; Ligand: DRA; Similar sites found: 4
This union binding pocket(no: 3) in the query (biounit: 1xds.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZCQ B65 0.02318 0.40426 0.682594
2 5EOB 5QQ 0.03293 0.40316 1.88088
3 3TKY N7I 0.0007771 0.4109 25.8152
4 3GXO MQA 0.001192 0.4028 36.3144
Pocket No.: 4; Query (leader) PDB : 1XDS; Ligand: SAM; 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: 1xds.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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