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Receptor
PDB id Resolution Class Description Source Keywords
1UAK 2.05 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF TRNA(M1G37)METHYLTRANSFERASE: INSIGHT I RECOGNITION HAEMOPHILUS INFLUENZAE METHYLTRANSFERASE SPOUT CLASS TRMD TRNA(M1G37)METHYLTRANSTRNA MODIFICATION TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF TRNA(M(1)G37)METHYLTRANSFERASE INSIGHTS INTO TRNA RECOGNITION EMBO J. V. 22 2593 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SAM A:301;
Valid;
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
4MCC 1.95 Å EC: 2.1.1.228 HINTRMD IN COMPLEX WITH N-[4-(AMINOMETHYL)BENZYL]-4-OXO-3,4- DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE HAEMOPHILUS INFLUENZAE TREFOIL TRMD SAM SAH SINEFUNGIN HMT STRUCTURAL GENOMICTRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: SELECTIVE INHIBITORS OF BACTERIAL T-RNA-(N(1)G37) METHYLTRANSFERASE (TRMD) THAT DEMONSTRATE NOVEL ORD THE LID DOMAIN. J.MED.CHEM. V. 56 7278 2013
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4MCD ic50 = 4.7 uM 22L C12 H8 N2 O S c1ccc(cc1)....
2 3AXZ Kd = 372 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
3 4MCC ic50 = 0.56 uM 21X C15 H14 N4 O2 S c1cc(ccc1C....
4 1UAK - SAM C15 H22 N6 O5 S C[S@@+](CC....
5 4YVH - SFG C15 H23 N7 O5 c1nc(c2c(n....
6 1UAL - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 1UAM - SAH C14 H20 N6 O5 S c1nc(c2c(n....
8 4YVG - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 4MCB ic50 = 1.5 uM 21W C19 H18 N6 O2 S c1cc(ccc1C....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4MCD ic50 = 4.7 uM 22L C12 H8 N2 O S c1ccc(cc1)....
2 3AXZ Kd = 372 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
3 4MCC ic50 = 0.56 uM 21X C15 H14 N4 O2 S c1cc(ccc1C....
4 1UAK - SAM C15 H22 N6 O5 S C[S@@+](CC....
5 4YVH - SFG C15 H23 N7 O5 c1nc(c2c(n....
6 1UAL - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 1UAM - SAH C14 H20 N6 O5 S c1nc(c2c(n....
8 4YVG - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 4MCB ic50 = 1.5 uM 21W C19 H18 N6 O2 S c1cc(ccc1C....
10 1P9P Kd = 68 nM SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4MCD ic50 = 4.7 uM 22L C12 H8 N2 O S c1ccc(cc1)....
2 3AXZ Kd = 372 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
3 4MCC ic50 = 0.56 uM 21X C15 H14 N4 O2 S c1cc(ccc1C....
4 1UAK - SAM C15 H22 N6 O5 S C[S@@+](CC....
5 4YVH - SFG C15 H23 N7 O5 c1nc(c2c(n....
6 1UAL - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 1UAM - SAH C14 H20 N6 O5 S c1nc(c2c(n....
8 4YVG - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 4MCB ic50 = 1.5 uM 21W C19 H18 N6 O2 S c1cc(ccc1C....
10 1P9P Kd = 68 nM SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAM; Similar ligands found: 202
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 ADN 0.565789 0.773333
9 RAB 0.565789 0.773333
10 XYA 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 5AL 0.510417 0.743902
25 54H 0.510204 0.673913
26 VMS 0.510204 0.673913
27 0UM 0.51 0.857143
28 AMP 0.505747 0.707317
29 LMS 0.505747 0.666667
30 A 0.505747 0.707317
31 ABM 0.505618 0.753086
32 A5A 0.505155 0.688889
33 SON 0.5 0.746988
34 SSA 0.5 0.684783
35 6RE 0.5 0.78481
36 K15 0.5 0.883117
37 5AD 0.5 0.75
38 SRP 0.5 0.746988
39 LSS 0.49505 0.706522
40 CA0 0.494624 0.714286
41 A12 0.494505 0.705882
42 AP2 0.494505 0.705882
43 ME8 0.490385 0.841463
44 TSB 0.49 0.681319
45 53H 0.49 0.666667
46 DAL AMP 0.49 0.765432
47 5CA 0.49 0.684783
48 ACP 0.489362 0.694118
49 ADP 0.48913 0.690476
50 5AS 0.48913 0.648936
51 J7C 0.488889 0.772152
52 A2D 0.488889 0.690476
53 ZAS 0.488636 0.769231
54 9ZD 0.485149 0.729412
55 9ZA 0.485149 0.729412
56 8QN 0.485149 0.743902
57 GAP 0.484536 0.73494
58 AN2 0.483871 0.682353
59 A3S 0.483871 0.813333
60 A7D 0.483871 0.851351
61 GJV 0.483516 0.775
62 SRA 0.483146 0.694118
63 LAD 0.480769 0.752941
64 KAA 0.480769 0.698925
65 GSU 0.480769 0.722222
66 AMO 0.480392 0.746988
67 DSZ 0.480392 0.703297
68 52H 0.48 0.666667
69 M33 0.478723 0.722892
70 BA3 0.478261 0.690476
71 MAO 0.478261 0.82716
72 NEC 0.477778 0.75
73 AOC 0.477778 0.776316
74 DSH 0.477778 0.842105
75 SXZ 0.47619 0.894737
76 AHX 0.475728 0.701149
77 NVA LMS 0.475728 0.736264
78 Y3J 0.47561 0.706667
79 G5A 0.474227 0.684783
80 A3T 0.473684 0.8
81 B4P 0.473118 0.690476
82 AP5 0.473118 0.690476
83 A3N 0.472527 0.766234
84 KB1 0.471698 0.833333
85 PRX 0.46875 0.73494
86 APC 0.46875 0.705882
87 AT4 0.468085 0.686047
88 PAJ 0.466019 0.712644
89 4AD 0.466019 0.759036
90 RBY 0.463918 0.72619
91 ADP PO3 0.463918 0.728395
92 ADV 0.463918 0.72619
93 ADX 0.463158 0.666667
94 MHZ 0.463158 0.82716
95 AU1 0.463158 0.674419
96 YAP 0.462963 0.738095
97 TXA 0.462264 0.72619
98 NB8 0.462264 0.72093
99 A3G 0.461538 0.802632
100 VRT 0.459184 0.842105
101 XAH 0.458716 0.715909
102 YSA 0.458716 0.684783
103 HEJ 0.458333 0.690476
104 50T 0.458333 0.682353
105 ATP 0.458333 0.690476
106 LEU LMS 0.457143 0.717391
107 7D7 0.45679 0.723684
108 KH3 0.455357 0.871795
109 ACQ 0.454545 0.694118
110 AR6 0.453608 0.710843
111 APR 0.453608 0.710843
112 AQP 0.453608 0.690476
113 5FA 0.453608 0.690476
114 NSS 0.451923 0.703297
115 FA5 0.449541 0.746988
116 A5D 0.44898 0.789474
117 AD9 0.44898 0.674419
118 AGS 0.44898 0.678161
119 SAP 0.44898 0.678161
120 PTJ 0.448598 0.72093
121 YLB 0.448276 0.758621
122 YLP 0.447368 0.738636
123 8X1 0.446602 0.680851
124 D3Y 0.446602 0.792208
125 ADP ALF 0.445545 0.678161
126 ALF ADP 0.445545 0.678161
127 3AM 0.444444 0.674699
128 MYR AMP 0.444444 0.776471
129 OAD 0.443396 0.73494
130 2VA 0.443299 0.779221
131 S8M 0.442308 0.831169
132 OOB 0.442308 0.722892
133 TYR AMP 0.441441 0.759036
134 6YZ 0.441176 0.694118
135 ADP VO4 0.441176 0.702381
136 VO4 ADP 0.441176 0.702381
137 T99 0.44 0.686047
138 TAT 0.44 0.686047
139 ANP 0.44 0.674419
140 WAQ 0.439252 0.75
141 B5Y 0.436364 0.717647
142 8PZ 0.436364 0.684783
143 F0P 0.435897 0.844156
144 YLC 0.435897 0.755814
145 AAT 0.435644 0.797468
146 1ZZ 0.435185 0.755814
147 9K8 0.435185 0.663158
148 3OD 0.435185 0.73494
149 NVA 2AD 0.434343 0.855263
150 00A 0.433962 0.689655
151 DLL 0.433962 0.722892
152 ARG AMP 0.433628 0.727273
153 7MD 0.433628 0.715909
154 ATF 0.431373 0.666667
155 SO8 0.43 0.792208
156 3UK 0.429907 0.714286
157 A6D 0.429907 0.72619
158 9X8 0.429907 0.717647
159 F2R 0.429752 0.7
160 5SV 0.428571 0.741176
161 AMP DBH 0.428571 0.714286
162 TYM 0.42735 0.746988
163 WSA 0.42735 0.692308
164 9SN 0.427273 0.681818
165 AHZ 0.426087 0.755814
166 P5A 0.425926 0.691489
167 B5V 0.425926 0.705882
168 PR8 0.425926 0.744186
169 A A 0.425926 0.710843
170 3NZ 0.425926 0.807692
171 A1R 0.424528 0.709302
172 2A5 0.424242 0.674419
173 7MC 0.423729 0.719101
174 B5M 0.423423 0.717647
175 7D5 0.422222 0.658824
176 JB6 0.422018 0.709302
177 FYA 0.422018 0.722892
178 AYB 0.421488 0.75
179 A22 0.419048 0.682353
180 MAP 0.419048 0.659091
181 2AM 0.417582 0.666667
182 TAD 0.417391 0.712644
183 A3P 0.416667 0.686747
184 ADP BMA 0.416667 0.714286
185 25A 0.415094 0.690476
186 YLA 0.413223 0.719101
187 8Q2 0.411765 0.663158
188 A3R 0.411215 0.709302
189 ADQ 0.411215 0.694118
190 48N 0.410256 0.72093
191 0XU 0.41 0.824324
192 GA7 0.408696 0.72619
193 7D3 0.40625 0.643678
194 PAP 0.405941 0.678571
195 DQV 0.405172 0.702381
196 OVE 0.404255 0.662791
197 4UV 0.403509 0.697674
198 AF3 ADP 3PG 0.403361 0.712644
199 3AD 0.402299 0.783784
200 CMP 0.402062 0.691358
201 2BA 0.402062 0.682927
202 7C5 0.4 0.731707
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MCC; Ligand: 21X; Similar sites found with APoc: 385
This union binding pocket(no: 1) in the query (biounit: 4mcc.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1MXI SAH None
2 3DCM SAM None
3 3E3U NVC 1.01523
4 5W3Y ACO 1.21951
5 3G6K FAD 1.21951
6 3G6K POP 1.21951
7 2VDV SAM 1.21951
8 1WUR 8DG 1.36364
9 1RP0 AHZ 1.62602
10 2HQM FAD 1.62602
11 5THQ NDP 1.62602
12 4ONQ SFG 1.62602
13 3OZ2 FAD 2.01511
14 5I39 FAD 2.03252
15 3OII SAH 2.03252
16 5TWB FAD 2.03252
17 2C5S AMP 2.03252
18 6EK3 OUL 2.03252
19 1KGZ PRP 2.03252
20 3GCZ SAM 2.03252
21 5XFV FMN 2.03252
22 3WH2 FLC 2.04082
23 4O97 NTX 2.07469
24 1NXJ GLV 2.18579
25 4RR7 A3S 2.20588
26 3AXB FAD 2.43902
27 3AXB PRO 2.43902
28 2R4J FAD 2.43902
29 2R4J 13P 2.43902
30 1UXG NAD 2.43902
31 1UXG FUM 2.43902
32 3E1T FAD 2.43902
33 1D4D FAD 2.43902
34 2JJK R15 2.43902
35 4CNK FAD 2.43902
36 2HJR APR 2.43902
37 2VVL FAD 2.43902
38 4R6W PC 2.43902
39 2NXE SAM 2.43902
40 4R6W SAH 2.43902
41 2POC UD1 2.43902
42 1CT9 AMP 2.43902
43 9LDB NAD 2.43902
44 3WGT FAD 2.43902
45 2VVM FAD 2.43902
46 3WGT QSC 2.43902
47 2J83 BAT 2.43902
48 1UTJ ABN 2.47934
49 1SBR VIB 2.5
50 5YSI NCA 2.63158
51 5APG EEM 2.7027
52 3AB1 FAD 2.84553
53 3CGB FAD 2.84553
54 2RCU BUJ 2.84553
55 3ELW SAM 2.84553
56 4D42 NAP 2.84553
57 4D42 W0I 2.84553
58 2QA1 FAD 2.84553
59 3ELW GP3 2.84553
60 5TUF TDC 2.84553
61 5TUF FAD 2.84553
62 3KLJ FAD 2.84553
63 5E72 SAM 2.84553
64 6B2M COA 2.84553
65 2Q0L FAD 2.84553
66 4C2C ALA ALA ALA 2.84553
67 1DCP HBI 2.88462
68 6DUB SAH 3.15315
69 4MOP 2H5 3.25203
70 6F97 FAD 3.25203
71 4D04 FAD 3.25203
72 4D04 NAP 3.25203
73 2C7G FAD 3.25203
74 5ZYN FAD 3.25203
75 2C7G ODP 3.25203
76 3ZNN 4WL 3.25203
77 3ZNN FAD 3.25203
78 3S5W FAD 3.25203
79 5WP4 SAH 3.25203
80 3BRE C2E 3.25203
81 3VSE SAH 3.25203
82 1TV5 FMN 3.25203
83 2GMH FAD 3.25203
84 1RSG FAD 3.25203
85 1PN0 FAD 3.25203
86 1PN0 IPH 3.25203
87 1RTF BEN 3.25203
88 1JNR FAD 3.33333
89 3H2B SAH 3.44828
90 6EMU SAM 3.5533
91 6GAR FAD 3.65854
92 2Y6Q FAD 3.65854
93 2Y6Q I7T 3.65854
94 5JCM ISD 3.65854
95 5JCM NAD 3.65854
96 5JCM FAD 3.65854
97 3GYQ SAM 3.65854
98 1GTE FAD 3.65854
99 5Y77 FAD 3.65854
100 4TM3 FAD 3.65854
101 2E5V FAD 3.65854
102 1KPG SAH 3.65854
103 3UDG TMP 3.65854
104 3GBR PRP 3.65854
105 5KOX FAD 3.65854
106 5DF1 58X 3.65854
107 5DF1 NAP 3.65854
108 5OJY CIT 3.65854
109 3HRD MCN 3.65854
110 2OUA AES 3.7234
111 5NC1 NAG 3.79747
112 5H5F SAM 3.84615
113 1TIQ COA 3.88889
114 3BBH SFG 3.90244
115 3BBD SAH 3.90244
116 4YNM SAM 3.9823
117 3G2O SAM 4.01338
118 3FPF TNA 4.02685
119 3FPF MTA 4.02685
120 3UOY FAD 4.06504
121 3UOY NAP 4.06504
122 1GPE FAD 4.06504
123 5BUK FAD 4.06504
124 4RSL FAD 4.06504
125 5J5Z FAD 4.06504
126 3GD4 NAD 4.06504
127 3GD4 FAD 4.06504
128 1KPH SAH 4.06504
129 6C8R SAH 4.06504
130 6C8R EQV 4.06504
131 1XF1 CIT 4.06504
132 2DKH FAD 4.06886
133 2DKH 3HB 4.06886
134 4JAL SAH 4.19162
135 5MGZ SAH 4.23729
136 6FHO FAD 4.26065
137 1GJC 130 4.34783
138 1KQR MNA 4.46927
139 2Q7V FAD 4.47154
140 1YQZ FAD 4.47154
141 1E1M FAD 4.47154
142 1E1M NAP 4.47154
143 4OPC PGT 4.47154
144 4NTC FAD 4.47154
145 6AIN FAD 4.47154
146 1KOR SIN 4.47154
147 1KOR ARG 4.47154
148 1KOR ANP 4.47154
149 5THY SAH 4.47154
150 6ECW SAH 4.47154
151 6ECU SAH 4.47154
152 5THZ SAH 4.47154
153 5E1M SAH 4.56432
154 4AP3 FAD 4.87805
155 4AP3 NAP 4.87805
156 5J60 FAD 4.87805
157 1EFV AMP 4.87805
158 1EFV FAD 4.87805
159 3IHG FAD 4.87805
160 3CTY FAD 4.87805
161 4USR FAD 4.87805
162 1ZK7 FAD 4.87805
163 1T26 GBD 4.87805
164 1T26 NAI 4.87805
165 3FJG 3PG 4.87805
166 4K5S FAD 4.87805
167 4K5S PM0 4.87805
168 2MBR EPU 4.87805
169 3GDN HBX 4.87805
170 3GDN FAD 4.87805
171 1G0N NDP 4.87805
172 6H3O FAD 4.87805
173 3LXD FAD 4.87805
174 2I7C AAT 4.87805
175 2P3I MNA 4.96894
176 2HXW FLC 5.06329
177 1GEG NAD 5.07812
178 4CNG SAH 5.28455
179 3CGD COA 5.28455
180 3CGD FAD 5.28455
181 3CGD NAD 5.28455
182 3NYC FAD 5.28455
183 3NYC IAR 5.28455
184 1XHC FAD 5.28455
185 4YSX FAD 5.28455
186 3UCL FAD 5.28455
187 3UCL CYH 5.28455
188 3UCL NAP 5.28455
189 4OM8 NAD 5.28455
190 4REP FAD 5.28455
191 3QJ4 FAD 5.28455
192 4PNE SAH 5.62914
193 5O96 SAM 5.69106
194 5A7Y SAH 5.69106
195 6ER9 FAD 5.69106
196 6ER9 NAP 5.69106
197 5ODQ FAD 5.69106
198 5K0A FAD 5.69106
199 1Z3C SA8 5.69106
200 4K49 HFQ 5.88235
201 2YY8 MTA 5.97015
202 2YY8 SAM 5.97015
203 2CDU FAD 6.09756
204 1JGT APC 6.09756
205 3NTD FAD 6.09756
206 1JGT CMA 6.09756
207 5VN0 FAD 6.09756
208 5VN0 NAI 6.09756
209 3NTA FAD 6.09756
210 4CNE SAH 6.09756
211 4WAS NAP 6.09756
212 3SSO SAH 6.09756
213 3NT6 FAD 6.09756
214 3AD8 NAD 6.09756
215 5GM1 SAH 6.09756
216 4Z24 FAD 6.09756
217 4X9M FAD 6.45933
218 3NK7 SAM 6.50407
219 1O97 FAD 6.50407
220 5EZ7 FAD 6.50407
221 5MZI FYK 6.50407
222 5MZI FAD 6.50407
223 1V59 NAD 6.50407
224 1V59 FAD 6.50407
225 4JNA FAD 6.50407
226 1GET NAP 6.50407
227 1GET FAD 6.50407
228 4FXQ G9L 6.50407
229 2FWP CIT 6.55738
230 2FWP ICR 6.55738
231 5FJN BE2 6.91057
232 5FJN FAD 6.91057
233 2AQJ FAD 6.91057
234 2AQJ TRP 6.91057
235 2WET FAD 6.91057
236 2RGO FAD 6.91057
237 2RAB FAD 6.91057
238 2RGH FAD 6.91057
239 2RAB NAD 6.91057
240 1N62 FAD 6.91057
241 6FP4 FAD 6.91057
242 1NV8 MEQ 6.91057
243 4FK7 P34 6.9869
244 1E6E FAD 7.03125
245 1NAA 6FA 7.31707
246 1NAA ABL 7.31707
247 1Q19 APC 7.31707
248 5ULP KB1 7.31707
249 4BV6 FAD 7.31707
250 1L1E SAH 7.31707
251 3VC1 GST 7.31707
252 3VC1 SAH 7.31707
253 1RM0 NAI 7.31707
254 1FFU FAD 7.31707
255 5HXI FAD 7.38786
256 2GAG NAD 7.61905
257 2GAG FAD 7.61905
258 2GAG FOA 7.61905
259 2BRY FAD 7.72358
260 4TXI FAD 7.72358
261 5TUK FAD 7.72358
262 2FK8 SAM 7.72358
263 1YY5 FAD 7.72358
264 4MO2 FAD 7.72358
265 4MO2 FDA 7.72358
266 3QFA FAD 7.75862
267 1QO8 FAD 7.77385
268 2YVF FAD 7.84314
269 2YVF NAD 7.84314
270 5X68 FAD 7.92839
271 1TE2 PGA 7.9646
272 1PVC ILE SER GLU VAL 7.98319
273 3SBZ MLI 8.13008
274 4YRY FAD 8.13008
275 4EIP FAD 8.13008
276 4YRY NAD 8.13008
277 4JWH SAH 8.13008
278 4JWF SAH 8.13008
279 5EB4 FAD 8.13008
280 3FPZ AHZ 8.13008
281 2IXB NAD 8.13008
282 3G89 SAM 8.13008
283 4QTU SAM 8.17308
284 2YVJ NAI 8.25688
285 3LZW NAP 8.53659
286 6GAS FAD 8.53659
287 3LZW FAD 8.53659
288 6F7L FAD 8.53659
289 3K7M FAD 8.81671
290 1KNR FAD 8.94309
291 4JDR FAD 8.94309
292 5GSN MMZ 8.94309
293 5GSN NAP 8.94309
294 5GSN FAD 8.94309
295 1GUZ NAD 8.94309
296 3T31 FAD 8.94309
297 3T31 DCQ 8.94309
298 3GF4 FAD 8.94309
299 2FKA BEF 9.30233
300 4HA6 FAD 9.34959
301 4PLT NAI 9.34959
302 4PLT OXM 9.34959
303 1LVL FAD 9.34959
304 4USQ FAD 9.34959
305 1LVL NAD 9.34959
306 1JG3 ADN 9.34959
307 4ZOH FAD 9.34959
308 2F5Z FAD 9.375
309 4BTI 7R9 9.375
310 3GMB FAD 9.63855
311 5CUQ NSC 9.7561
312 1MO9 KPC 9.7561
313 1MO9 FAD 9.7561
314 4J56 FAD 9.7561
315 1Q9I TEO 9.7561
316 1Q9I FAD 9.7561
317 4M73 M72 9.7561
318 4M73 SAH 9.7561
319 1R27 MGD 9.7561
320 4YNU FAD 9.7561
321 5MIT NAP 9.78593
322 5MIT FAD 9.78593
323 3O7B SAH 9.83607
324 4PLG OXM 10.1626
325 4PLG NAI 10.1626
326 5L2Z 70C 10.3448
327 2RGJ FAD 10.5691
328 1COY FAD 10.9756
329 1RYI FAD 10.9756
330 1RYI GOA 10.9756
331 3ICT FAD 10.9756
332 3ICR FAD 10.9756
333 3ICS FAD 10.9756
334 1YKJ PHB 10.9756
335 1YKJ FAD 10.9756
336 3T7S SAM 10.9756
337 3PTG 932 10.9756
338 4D7E FAD 10.9756
339 4XW2 SIM 11.1111
340 3AIA SAM 11.3744
341 2ZXI FAD 11.3821
342 5TWJ SAM 11.7886
343 4BJZ FAD 11.7886
344 4BJZ P3A 11.7886
345 5HSA FAS 12.1951
346 2IDO TMP 12.3656
347 2ZIF SAM 12.6016
348 6CEP OXM 12.6016
349 6CEP NAD 12.6016
350 1O94 AMP 12.6016
351 4ZCC FAD 13.4146
352 4ZCC NAI 13.4146
353 4MIG G3F 13.4146
354 1T3Q MCN 14.2276
355 1T3Q FAD 14.2276
356 5JCA NDP 14.6341
357 1TPY SAH 14.6341
358 1SOW NAD 14.6341
359 2IVD FAD 14.6341
360 1K97 ASP 14.6341
361 1K97 CIR 14.6341
362 1V2X SAM 14.9485
363 4NTD FAD 15.0407
364 4C3Y FAD 15.4472
365 4C3Y ANB 15.4472
366 3FZG SAM 15.4472
367 1LTH NAD 15.4472
368 3RNM FAD 15.5172
369 4EMJ FAD 15.8537
370 4EMI FAD 15.8537
371 2BOS GLA GAL GLC 16.1765
372 2BOS GLA GAL GLC NBU 16.1765
373 4JWJ SAH 16.3366
374 4J36 FAD 17.4797
375 4J36 1HR 17.4797
376 2NPX NAD 19.1057
377 2NPX FAD 19.1057
378 4L2I NAD 19.5122
379 5BRT FAD 19.5122
380 5BRT CH9 19.5122
381 4L2I FAD 19.5122
382 2A92 NAI 20.3252
383 1VQW FAD 22.3577
384 2GVC FAD 22.3577
385 2GV8 FAD 22.3577
Pocket No.: 2; Query (leader) PDB : 4MCC; Ligand: 21X; Similar sites found with APoc: 68
This union binding pocket(no: 2) in the query (biounit: 4mcc.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5FUI APY None
2 4RRG A3T 1.41844
3 4IF4 BEF 1.44231
4 5G6U TRP 1.62602
5 2NCD ADP 2.03252
6 4B9E FAH 2.43902
7 1OSS BEN 2.69058
8 5TSU CYS 2.84553
9 3S6X SIA GAL BGC 2.84553
10 2VSU ACO 2.84553
11 6B74 BEN 2.88066
12 1NU4 MLA 3.09278
13 6C90 ADP 3.25203
14 1J1R ADE 3.25203
15 4BHL ARG 3.25203
16 2Z9I GLY ALA THR VAL 3.65854
17 3OF1 CMP 3.65854
18 2Q37 3AL 3.8674
19 3FXU TSU 4.06504
20 3HQ9 OXL 4.06504
21 1UYY BGC BGC 4.06504
22 5TVA AMP 4.16667
23 3OCP CMP 4.31655
24 4AU8 Z3R 4.47154
25 3JUC PCA 4.47154
26 4I5I 4I5 4.47154
27 5ZXD ATP 4.47154
28 5T52 A2G 4.54545
29 6A46 DCM 4.6875
30 3PD2 A3S 4.7619
31 3AKI AH8 4.87805
32 3B6O TMP 4.87805
33 1GPM AMP 4.87805
34 3RK1 ATP 5.06329
35 6A20 ADP 5.28455
36 5FUS DAO 5.28455
37 2D2F ADP 5.69106
38 3U3Z SEP GLN GLU PTR 6.03015
39 4R78 AMP 6.09756
40 5N0O SAM 6.09756
41 1NE6 SP1 6.50407
42 1NFU RRP 6.50407
43 2GUC MAN 6.55738
44 3O7J 2AL 6.87831
45 3ZZL TRP 7.14286
46 1USR SIA WIA 7.31707
47 1USR SIA 7.31707
48 3ZZQ TRP 7.69231
49 4PTN GXV 7.72358
50 2Y7I ARG 7.86026
51 3IWD M2T 8.06452
52 3LRE ADP 8.53659
53 3LE7 ADE 8.94309
54 5LX9 OLB 9.15493
55 5JBX MLI 9.34959
56 4AUA 4AU 9.34959
57 3FGZ BEF 9.375
58 1L7N ALF 9.47867
59 5AHW CMP 9.7561
60 1KJ1 MAN 10.0917
61 1WD4 AHR 10.1626
62 3A23 GAL 10.5691
63 1A0J BEN 11.2108
64 1VKF CIT 12.766
65 2JDU MFU 15.6522
66 4XZ3 ACP 16.2602
67 2BOI MFU 18.5841
68 3HP8 SUC 25.4545
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