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Receptor
PDB id Resolution Class Description Source Keywords
4NJH 1.9 Å EC: 4.3.99.3 CRYSTAL STRUCTURE OF QUEE FROM BURKHOLDERIA MULTIVORANS IN C WITH ADOMET AND 6-CARBOXY-5,6,7,8-TETRAHYDROPTERIN BURKHOLDERIA MULTIVORANS ADOMET RADICAL ENZYME MODIFIED PARTIAL TIM BARREL-LIKE STRURADICAL SAM FOLD RADICAL ADOMET FOLD SYNTHASE LYASE
Ref.: RADICAL SAM ENZYME QUEE DEFINES A NEW MINIMAL CORE METAL-DEPENDENT MECHANISM. NAT.CHEM.BIOL. V. 10 106 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA B:306;
B:304;
A:304;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
PO4 A:305;
B:305;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
SF4 B:301;
A:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
351.64 Fe4 S4 [S]12...
SAM A:302;
B:302;
Valid;
Valid;
none;
none;
submit data
398.437 C15 H22 N6 O5 S C[S@@...
2K8 B:303;
A:303;
Valid;
Valid;
none;
none;
submit data
211.178 C7 H9 N5 O3 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NJH 1.9 Å EC: 4.3.99.3 CRYSTAL STRUCTURE OF QUEE FROM BURKHOLDERIA MULTIVORANS IN C WITH ADOMET AND 6-CARBOXY-5,6,7,8-TETRAHYDROPTERIN BURKHOLDERIA MULTIVORANS ADOMET RADICAL ENZYME MODIFIED PARTIAL TIM BARREL-LIKE STRURADICAL SAM FOLD RADICAL ADOMET FOLD SYNTHASE LYASE
Ref.: RADICAL SAM ENZYME QUEE DEFINES A NEW MINIMAL CORE METAL-DEPENDENT MECHANISM. NAT.CHEM.BIOL. V. 10 106 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4NJI - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 4NJK - 2KA C7 H6 N4 O3 c1c(c2c([n....
3 4NJH - SAM C15 H22 N6 O5 S C[S@@+](CC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4NJI - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 4NJK - 2KA C7 H6 N4 O3 c1c(c2c([n....
3 4NJH - SAM C15 H22 N6 O5 S C[S@@+](CC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4NJI - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 4NJK - 2KA C7 H6 N4 O3 c1c(c2c([n....
3 4NJH - SAM C15 H22 N6 O5 S C[S@@+](CC....
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
Ligand no: 2; Ligand: 2K8; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 2K8 1 1
2 B62 0.54717 0.85
3 44V 0.54717 0.85
4 BHS 0.534483 0.903226
5 H4B 0.534483 0.903226
6 ZZZ 0.527273 0.913793
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NJH; Ligand: 2K8; Similar sites found with APoc: 273
This union binding pocket(no: 1) in the query (biounit: 4njh.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 3LQV ADE None
2 5CLO NS8 None
3 3CBC DBS None
4 1P0Z FLC None
5 3VPD ANP 1.30435
6 3VPD CIT 1.30435
7 5LXM ADP 1.30435
8 3WG3 A2G GAL NAG FUC 1.68539
9 4WCX SAM 1.73913
10 4WCX MET 1.73913
11 5KO1 6UY 1.73913
12 4RDL FUC GAL NDG FUC 1.73913
13 4GLW 0XT 1.73913
14 4IJ6 SEP 1.89573
15 5DZT AMP 2.17391
16 3HZT J60 2.17391
17 1XIM XYL 2.17391
18 1M0W ANP 2.17391
19 1G0H IPD 2.17391
20 2VD9 IN5 2.17391
21 2VD9 EPC 2.17391
22 1NLU IVA PHI TYB 2.17391
23 2BS5 BGC GAL FUC 2.22222
24 6EZ6 C5Z 2.28354
25 5L4R CPT 2.41546
26 4WGF HX2 2.43902
27 1NJJ GET 2.6087
28 2Z49 AMG 2.6087
29 6GZD LCI 2.6087
30 4UHL VFV 2.6087
31 2Z48 NGA 2.6087
32 4ZS4 ATP 2.6087
33 4PZ6 GMP 2.6087
34 1F9V ADP 2.6087
35 3PDT ADP 2.6087
36 3DLS ADP 2.6087
37 5UL4 SAM 2.6087
38 3SRV S19 2.6087
39 5I35 ANP 2.6087
40 1ION ADP 2.6087
41 4I5I 4I5 2.6087
42 2Z48 A2G 2.6087
43 4IAW LIZ 2.65957
44 2YAB AMP 2.77008
45 6G5J EM8 3.0303
46 4FHD 0TT 3.04348
47 4FHD EEM 3.04348
48 3HAV ATP 3.04348
49 4C2W ANP 3.04348
50 1K3A ACP 3.04348
51 5YF9 NIO 3.04348
52 3ZRM ZRM 3.04348
53 3M2W L8I 3.04348
54 1PK8 ATP 3.04348
55 1AUX AGS 3.04348
56 5EFQ ADP 3.04348
57 4JOB TLA 3.04348
58 3F7Z 34O 3.04348
59 3KMW ATP 3.10078
60 1Y7P RIP 3.13901
61 1RJW ETF 3.24484
62 5TPV TYD 3.26797
63 5OF1 SAL 3.33333
64 3GC0 AMP 3.47826
65 5C03 AGS 3.47826
66 2FJK 13P 3.47826
67 4BCM T7Z 3.47826
68 6GUE FB8 3.47826
69 3THR C2F 3.47826
70 5ZCT ANP 3.47826
71 1SZ0 M6P 3.47826
72 2F2H XTG 3.47826
73 4LUT DCS 3.47826
74 3VPC ADP 3.47826
75 1V0O INR 3.47826
76 4L9Z OXL 3.47826
77 1XI9 PLP 3.47826
78 3C0G 3AM 3.47826
79 5OES ADP 3.47826
80 4CFU 2WC 3.47826
81 4FFG LBS 3.47826
82 5LMK 6ZK 3.47826
83 1I7L ATP 3.47826
84 3VOT ADP 3.47826
85 5U6C 7YS 3.47826
86 1MFI FHC 3.50877
87 1ZZ7 S0H 3.53535
88 2V73 SIA 3.66492
89 1JH7 UVC 3.7037
90 2P7Q GG6 3.7594
91 5OCQ CIT 3.91304
92 4PTN PYR 3.91304
93 5NM7 GLY 3.91304
94 3K5I ADP 3.91304
95 1XL8 152 3.91304
96 4KBA 1QM 3.91304
97 1NIU DCS 3.91304
98 4F9C 0SX 3.91304
99 3B50 SLB 3.91304
100 4B7E OGA 3.91304
101 5C1P ADP 3.91304
102 4AVV CD 3.92157
103 4AVV GHE 3.92157
104 6BSX E7S 3.93258
105 2A19 ANP 4
106 6CMJ F6J 4.04984
107 3CXO 1N5 4.09639
108 3CXO 3LR 4.09639
109 5OWC AYZ 4.09836
110 5ZIC BMA Z4Y NAG 4.34783
111 2QK4 ATP 4.34783
112 1SR9 KIV 4.34783
113 5DBX ANP 4.34783
114 4XZ3 ACP 4.34783
115 1OLT SAM 4.34783
116 4JYD SAH 4.34783
117 3KLL MAL 4.34783
118 5BVE 4VG 4.34783
119 5T9C G3P 4.34783
120 4XH0 ADP 4.34783
121 1OBD ATP 4.34783
122 2VN9 GVD 4.34783
123 4H3P ANP 4.34783
124 2V7O DRN 4.34783
125 1DE6 RNS 4.34783
126 2WEL K88 4.34783
127 3ORQ ADP 4.34783
128 3W25 XYP XYP 4.46429
129 4IMO PWZ 4.54545
130 2ZV2 609 4.69799
131 4CNO 9PY 4.78261
132 2BMB PMM 4.78261
133 5LY1 PPI 4.78261
134 2ZL7 FUC GAL NGA 4.78261
135 4GN8 ASO 4.78261
136 4UAL 3FV 4.78261
137 1ZY5 ANP 4.78261
138 4NST ADP 4.78261
139 4O1P ANP 4.78261
140 1DZT ATY 4.91803
141 1DZT TPE 4.91803
142 3QH2 3NM 4.97738
143 2ZFZ ARG 5.06329
144 4YRD 3IT 5.21739
145 4XCB AKG 5.21739
146 5KJW 53C 5.21739
147 5G48 1FL 5.21739
148 4IPN 1FT 5.21739
149 5W75 SUC 5.21739
150 5GVR LMR 5.21739
151 4CS9 AMP 5.29101
152 3SAO NKN 5.625
153 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 5.65217
154 4NFE BEN 5.65217
155 2B1Q TRE 5.65217
156 1XJD STU 5.65217
157 5FAG PPI 5.65217
158 1IA9 ANP 5.65217
159 6HTO MET 5.65217
160 6HTO 5AD 5.65217
161 5Y86 HRM 5.65217
162 2RIF AMP 5.67376
163 2ZMF CMP 5.82011
164 5VM6 9EG 5.83942
165 2XOC ADP 6.08696
166 4OH4 ANP 6.08696
167 5LVP ATP 6.08696
168 2PUL ACP 6.08696
169 2HY0 306 6.08696
170 4LH7 1X8 6.08696
171 4U98 ACP 6.08696
172 3ALN ANP 6.08696
173 1I7E IBS 6.08696
174 5V49 MET 6.08696
175 1OI6 TMP 6.08696
176 4CC6 L5Y 6.08696
177 4QVB F42 6.12245
178 1U29 I3P 6.20155
179 1VKF CIT 6.38298
180 5F90 GLA GAL 6.41026
181 5F90 LMR 6.41026
182 1UPR 4IP 6.50407
183 3U6W KIV 6.52174
184 3DAK ANP 6.52174
185 3AKK ADP 6.52174
186 4FL3 ANP 6.52174
187 3HMO STU 6.72515
188 4BQS K2Q 6.81818
189 6GR0 F8W 6.89655
190 6FA4 D1W 6.93642
191 4QM9 CYS 6.93642
192 3WVR AMP 6.95652
193 4ZM4 PLP 6.95652
194 6FYV 3NG 6.95652
195 3A6T 8OG 6.97674
196 5VGS 9A4 7.00637
197 5LNE A2G GAL 7.31707
198 3T7V SAM 7.3913
199 6B9T 2HE 7.3913
200 6D61 4AA 7.69231
201 3PN1 IVH 7.82609
202 2Q7D ANP 7.82609
203 1OFL NGK GCD 7.82609
204 3LHS SF8 7.82609
205 4XYM A12 7.97414
206 5VZ0 ADP 8.26087
207 4WNP 3RJ 8.26087
208 4JR7 GNP 8.26087
209 3ESS 18N 8.26087
210 4YMJ 4EJ 8.26087
211 5BWD FUM 8.26087
212 2GQS ADP 8.26087
213 6GU6 1QK 8.33333
214 3EXS 5RP 8.59729
215 1CBK ROI 8.75
216 5VSM MET 9.13043
217 5VSM 5AD 9.13043
218 4M7T SAM 9.13043
219 5UPK ANP 9.13043
220 4Y0X ADP 9.13043
221 5H41 IFM 9.13043
222 5AWM ANP 9.13043
223 5L4L NAP 9.56522
224 5OKT 9XK 9.56522
225 5LDQ NAP 9.60452
226 4JLS 3ZE 9.86842
227 5F7J ADE 10
228 5FYR INS 10
229 5CKW ANP 10.4348
230 3N2O AG2 10.4348
231 4FDU IHS 10.4348
232 5H2U 1N1 10.4869
233 4CPA GLY 10.5263
234 4K37 SAM 10.8696
235 4K39 SAM 10.8696
236 4KZV TRE 11.194
237 5M06 ADP 11.3043
238 4R78 AMP 11.3043
239 1Q8Y ADE 11.3043
240 4WQQ MAN 11.3475
241 1Y2F WAI 11.5108
242 2FB3 GTP 11.7391
243 2FB3 5AD 11.7391
244 2FB3 MET 11.7391
245 4WOV 3SM 11.7391
246 4FE2 ADP 11.7391
247 3QXV MTX 11.9048
248 3X01 AMP 12.1739
249 2TPS TPS 12.3348
250 2D24 XYS XYS 12.6087
251 3NB0 G6P 12.6087
252 4Q5H ANP 12.8205
253 5EXK 5AD 13.0435
254 1T36 ORN 13.0435
255 2QX0 PH2 13.2075
256 5H9P TD2 13.2911
257 2GQR ADP 13.5021
258 5H9Q TD2 13.5484
259 4RYV ZEA 14.1935
260 5L8L ADP 14.5299
261 3VSV XYS 15.2174
262 1FHW I5P 15.5039
263 4Y24 TD2 15.5844
264 3C8F MT2 15.6522
265 3RFA SAM 18.6957
266 5W1E PHB 18.6957
267 4X7Q 3YR 18.6957
268 3ZW2 NAG GAL FUC 20.6897
269 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 21.0526
270 1RBL CAP 22.1739
271 5F6U 5VK 23.5669
272 5WGG SAM 23.8095
273 4K38 SAM 38.8889
Pocket No.: 2; Query (leader) PDB : 4NJH; Ligand: SAM; Similar sites found with APoc: 275
This union binding pocket(no: 2) in the query (biounit: 4njh.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 3LQV ADE None
2 5CLO NS8 None
3 3CBC DBS None
4 1P0Z FLC None
5 5GP0 GPP None
6 2CBO TH2 None
7 3VPD ANP 1.30435
8 5LXM ADP 1.30435
9 3VPD CIT 1.30435
10 4WCX SAM 1.73913
11 4GLW 0XT 1.73913
12 4RDL FUC GAL NDG FUC 1.73913
13 5KO1 6UY 1.73913
14 4IJ6 SEP 1.89573
15 5DZT AMP 2.17391
16 3HZT J60 2.17391
17 1M0W ANP 2.17391
18 1G0H IPD 2.17391
19 1XIM XYL 2.17391
20 2VD9 IN5 2.17391
21 2VD9 EPC 2.17391
22 2WQN ADP 2.17391
23 4GYI ADP 2.17391
24 2BS5 BGC GAL FUC 2.22222
25 4WGF HX2 2.43902
26 2Z48 NGA 2.6087
27 1NJJ GET 2.6087
28 2Z49 AMG 2.6087
29 6GZD LCI 2.6087
30 4ZS4 ATP 2.6087
31 5MRH Q9Z 2.6087
32 3DLS ADP 2.6087
33 4PZ6 GMP 2.6087
34 3SRV S19 2.6087
35 4I5I 4I5 2.6087
36 5UL4 SAM 2.6087
37 1F9V ADP 2.6087
38 1ION ADP 2.6087
39 5I35 ANP 2.6087
40 2YPI PGA 2.6087
41 4UHL VFV 2.6087
42 3PDT ADP 2.6087
43 2Z48 A2G 2.6087
44 1QVJ RP5 2.6087
45 4IAW LIZ 2.65957
46 2YAB AMP 2.77008
47 1QFT HSM 2.85714
48 6G5J EM8 3.0303
49 4FHD EEM 3.04348
50 4FHD 0TT 3.04348
51 4C2W ANP 3.04348
52 3HAV ATP 3.04348
53 1K3A ACP 3.04348
54 5YF9 NIO 3.04348
55 3M2W L8I 3.04348
56 3ZRM ZRM 3.04348
57 3ROE THM 3.04348
58 2VFT SOR 3.04348
59 1AUX AGS 3.04348
60 1PK8 ATP 3.04348
61 5HWV MBN 3.07692
62 3KMW ATP 3.10078
63 1Y7P RIP 3.13901
64 1RJW ETF 3.24484
65 5TPV TYD 3.26797
66 1K4M CIT 3.28639
67 5OF1 SAL 3.33333
68 2FJK 13P 3.47826
69 3GC0 AMP 3.47826
70 5C03 AGS 3.47826
71 4BCM T7Z 3.47826
72 5ZCT ANP 3.47826
73 3THR C2F 3.47826
74 6GUE FB8 3.47826
75 4FFG 0U8 3.47826
76 2F2H XTG 3.47826
77 4L9Z OXL 3.47826
78 3VPC ADP 3.47826
79 5OES ADP 3.47826
80 1V0O INR 3.47826
81 4LUT DCS 3.47826
82 1XI9 PLP 3.47826
83 5LMK 6ZK 3.47826
84 3C0G 3AM 3.47826
85 1SZ0 M6P 3.47826
86 1I7L ATP 3.47826
87 5VLC HSO 3.47826
88 4CFU 2WC 3.47826
89 5AYE BMA BMA 3.47826
90 3VOT ADP 3.47826
91 5U6C 7YS 3.47826
92 1MFI FHC 3.50877
93 1ZZ7 S0H 3.53535
94 2AXR ABL 3.57853
95 2V73 SIA 3.66492
96 2P7Q GG6 3.7594
97 4JP3 CIT 3.76569
98 5OCQ CIT 3.91304
99 4PTN PYR 3.91304
100 5NM7 GLY 3.91304
101 3K5I ADP 3.91304
102 4KBA 1QM 3.91304
103 5C1P ADP 3.91304
104 1NIU DCS 3.91304
105 1M5W DXP 3.91304
106 1VJ7 GDP 3.91304
107 5DXI TRE 3.91304
108 3B50 SLB 3.91304
109 4F9C 0SX 3.91304
110 4AVV CD 3.92157
111 4AVV GHE 3.92157
112 6BSX E7S 3.93258
113 2A19 ANP 4
114 2QL9 CIT 4.04624
115 6CMJ F6J 4.04984
116 5OWC AYZ 4.09836
117 2GC0 PAN 4.25532
118 5ZIC BMA Z4Y NAG 4.34783
119 2QK4 ATP 4.34783
120 4XZ3 ACP 4.34783
121 5DBX ANP 4.34783
122 1OLT SAM 4.34783
123 3KLL MAL 4.34783
124 5T9C G3P 4.34783
125 1OBD ATP 4.34783
126 4JYD SAH 4.34783
127 2WEL K88 4.34783
128 4XH0 ADP 4.34783
129 2VN9 GVD 4.34783
130 2BGM MAX 4.34783
131 4H3P ANP 4.34783
132 1DE6 RNS 4.34783
133 5OD2 GLC 4.34783
134 2OEM 1AE 4.34783
135 4IMO PWZ 4.54545
136 2ZV2 609 4.69799
137 4CNO 9PY 4.78261
138 2BMB PMM 4.78261
139 5LY1 PPI 4.78261
140 2ZL7 FUC GAL NGA 4.78261
141 2Q8E OGA 4.78261
142 4UAL 3FV 4.78261
143 5FWE OGA 4.78261
144 4NST ADP 4.78261
145 3QH2 3NM 4.97738
146 2ZFZ ARG 5.06329
147 4YRD 3IT 5.21739
148 2X2M X2M 5.21739
149 5G48 1FL 5.21739
150 4CS9 AMP 5.29101
151 1VBO MAN MAN MAN 5.36913
152 3SAO NKN 5.625
153 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 5.65217
154 4NFE BEN 5.65217
155 1XJD STU 5.65217
156 5FAG PPI 5.65217
157 3EPO MP5 5.65217
158 1IA9 ANP 5.65217
159 5D4Y BXP 5.65217
160 6HTO 5AD 5.65217
161 6HTO MET 5.65217
162 5Y86 HRM 5.65217
163 4IX4 ADP 5.65217
164 2RIF AMP 5.67376
165 2ZMF CMP 5.82011
166 2BKK ADP 5.91716
167 2XOC ADP 6.08696
168 3RWP ABQ 6.08696
169 2HY0 306 6.08696
170 5LVP ATP 6.08696
171 4OH4 ANP 6.08696
172 4LH7 1X8 6.08696
173 2PUL ACP 6.08696
174 5VKM GAL SIA 6.08696
175 3ALN ANP 6.08696
176 4U98 ACP 6.08696
177 2PVF ACP 6.08696
178 5V49 MET 6.08696
179 1I7E IBS 6.08696
180 4QVB F42 6.12245
181 4JX1 CAH 6.19469
182 4JX1 CAM 6.19469
183 1U29 I3P 6.20155
184 5KK4 44E 6.25
185 1VKF CIT 6.38298
186 5F90 GLA GAL 6.41026
187 5F90 LMR 6.41026
188 3U6W KIV 6.52174
189 3DAK ANP 6.52174
190 3AKK ADP 6.52174
191 4FL3 ANP 6.52174
192 3HMO STU 6.72515
193 4BQS K2Q 6.81818
194 6GR0 F8W 6.89655
195 6FA4 D1W 6.93642
196 4QM9 CYS 6.93642
197 3WVR AMP 6.95652
198 6FYV 3NG 6.95652
199 1V8B ADN 6.95652
200 3A6T 8OG 6.97674
201 5LNE A2G GAL 7.31707
202 3T7V SAM 7.3913
203 5O0J GLC 7.3913
204 4YVN EBS 7.3913
205 3PN1 IVH 7.82609
206 2Q7D ANP 7.82609
207 1OFL NGK GCD 7.82609
208 3LHS SF8 7.82609
209 1N4K I3P 7.82609
210 4XYM A12 7.97414
211 5VZ0 ADP 8.26087
212 4WNP 3RJ 8.26087
213 4JR7 GNP 8.26087
214 4YMJ 4EJ 8.26087
215 2GQS ADP 8.26087
216 6GU6 1QK 8.33333
217 5HQ0 LZ9 8.33333
218 3EXS 5RP 8.59729
219 1CBK ROI 8.75
220 5VSM MET 9.13043
221 5VSM 5AD 9.13043
222 4M7T SAM 9.13043
223 5UPK ANP 9.13043
224 4Y0X ADP 9.13043
225 5L4L NAP 9.56522
226 5OKT 9XK 9.56522
227 5LDQ NAP 9.60452
228 4JLS 3ZE 9.86842
229 5F7J ADE 10
230 5FYR INS 10
231 2Q8Z NUP 10
232 5CKW ANP 10.4348
233 3N2O AG2 10.4348
234 5H2U 1N1 10.4869
235 4K37 SAM 10.8696
236 4K39 SAM 10.8696
237 4KZV TRE 11.194
238 5M06 ADP 11.3043
239 1Q8Y ADE 11.3043
240 4R78 AMP 11.3043
241 2FB3 GTP 11.7391
242 2FB3 5AD 11.7391
243 2FB3 MET 11.7391
244 4WOV 3SM 11.7391
245 4FE2 ADP 11.7391
246 4FE2 AIR 11.7391
247 3QXV MTX 11.9048
248 3X01 AMP 12.1739
249 2D24 XYS XYS 12.6087
250 3NB0 G6P 12.6087
251 4Q5H ANP 12.8205
252 5EXK 5AD 13.0435
253 1T36 ORN 13.0435
254 5EXK MET 13.0435
255 2QX0 PH2 13.2075
256 5J6Y BGC 13.2979
257 5J6Y GLC 13.2979
258 3HYW DCQ 13.4783
259 2GQR ADP 13.5021
260 5H9Q TD2 13.5484
261 4RYV ZEA 14.1935
262 3N9R TD3 14.3478
263 5L8L ADP 14.5299
264 3VSV XYS 15.2174
265 1FHW I5P 15.5039
266 4Y24 TD2 15.5844
267 3C8F MT2 15.6522
268 3RFA SAM 18.6957
269 4X7Q 3YR 18.6957
270 5W1E PHB 18.6957
271 3ZW2 NAG GAL FUC 20.6897
272 1RBL CAP 22.1739
273 5F6U 5VK 23.5669
274 5WGG SAM 23.8095
275 4K38 SAM 38.8889
Pocket No.: 3; Query (leader) PDB : 4NJH; Ligand: SAM; Similar sites found with APoc: 49
This union binding pocket(no: 3) in the query (biounit: 4njh.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 3WG3 A2G GAL NAG FUC 1.68539
2 4WCX MET 1.73913
3 1NLU IVA PHI TYB 2.17391
4 6EZ6 C5Z 2.28354
5 5L4R CPT 2.41546
6 5EFQ ADP 3.04348
7 4JOB TLA 3.04348
8 3F7Z 34O 3.04348
9 4FFG LBS 3.47826
10 1JH7 UVC 3.7037
11 1XL8 152 3.91304
12 4B7E OGA 3.91304
13 3CXO 1N5 4.09639
14 3CXO 3LR 4.09639
15 1SR9 KIV 4.34783
16 5BVE 4VG 4.34783
17 2V7O DRN 4.34783
18 3ORQ ADP 4.34783
19 3W25 XYP XYP 4.46429
20 4GN8 ASO 4.78261
21 1ZY5 ANP 4.78261
22 4O1P ANP 4.78261
23 1DZT ATY 4.91803
24 1DZT TPE 4.91803
25 4XCB AKG 5.21739
26 5KJW 53C 5.21739
27 4IPN 1FT 5.21739
28 5W75 SUC 5.21739
29 5GVR LMR 5.21739
30 2B1Q TRE 5.65217
31 5VM6 9EG 5.83942
32 1OI6 TMP 6.08696
33 4CC6 L5Y 6.08696
34 1UPR 4IP 6.50407
35 4ZM4 PLP 6.95652
36 5VGS 9A4 7.00637
37 6B9T 2HE 7.3913
38 6D61 4AA 7.69231
39 3ESS 18N 8.26087
40 5BWD FUM 8.26087
41 5H41 IFM 9.13043
42 5AWM ANP 9.13043
43 4FDU IHS 10.4348
44 4CPA GLY 10.5263
45 4WQQ MAN 11.3475
46 1Y2F WAI 11.5108
47 2TPS TPS 12.3348
48 5H9P TD2 13.2911
49 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 21.0526
Pocket No.: 4; Query (leader) PDB : 4NJH; Ligand: 2K8; Similar sites found with APoc: 51
This union binding pocket(no: 4) in the query (biounit: 4njh.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 5GP0 GPP None
2 2CBO TH2 None
3 2WQN ADP 2.17391
4 4GYI ADP 2.17391
5 5MRH Q9Z 2.6087
6 2YPI PGA 2.6087
7 1QVJ RP5 2.6087
8 1QFT HSM 2.85714
9 3ROE THM 3.04348
10 2VFT SOR 3.04348
11 5HWV MBN 3.07692
12 1K4M CIT 3.28639
13 4FFG 0U8 3.47826
14 5VLC HSO 3.47826
15 5AYE BMA BMA 3.47826
16 2AXR ABL 3.57853
17 4JP3 CIT 3.76569
18 1M5W DXP 3.91304
19 1VJ7 GDP 3.91304
20 5DXI TRE 3.91304
21 2QL9 CIT 4.04624
22 2GC0 PAN 4.25532
23 2BGM MAX 4.34783
24 5OD2 GLC 4.34783
25 2OEM 1AE 4.34783
26 2Q8E OGA 4.78261
27 5FWE OGA 4.78261
28 2X2M X2M 5.21739
29 1VBO MAN MAN MAN 5.36913
30 3EPO MP5 5.65217
31 5D4Y BXP 5.65217
32 4IX4 ADP 5.65217
33 2BKK ADP 5.91716
34 3RWP ABQ 6.08696
35 5VKM GAL SIA 6.08696
36 2PVF ACP 6.08696
37 4JX1 CAH 6.19469
38 4JX1 CAM 6.19469
39 5KK4 44E 6.25
40 1V8B ADN 6.95652
41 5O0J GLC 7.3913
42 4YVN EBS 7.3913
43 1N4K I3P 7.82609
44 5HQ0 LZ9 8.33333
45 2Q8Z NUP 10
46 4FE2 AIR 11.7391
47 5EXK MET 13.0435
48 5J6Y GLC 13.2979
49 5J6Y BGC 13.2979
50 3HYW DCQ 13.4783
51 3N9R TD3 14.3478
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