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Receptor
PDB id Resolution Class Description Source Keywords
3THR 2 Å EC: 2.1.1.20 CRYSTAL STRUCTURE OF RAT NATIVE LIVER GLYCINE N-METHYLTRANSF COMPLEXED WITH 5-METHYLTETRAHYDROFOLATE MONOGLUTAMATE RATTUS NORVEGICUS GLYCINE N-METHYLTRANSFERASE GNMT FOLATE METHYLTRANSFERASEBINDING LIVER CYTOSOL TRANSFERASE-TRANSFERASE INHIBITOR C
Ref.: DIFFERENCES IN FOLATE-PROTEIN INTERACTIONS RESULT I DIFFERING INHIBITION OF NATIVE RAT LIVER AND RECOMB GLYCINE N-METHYLTRANSFERASE BY 5-METHYLTETRAHYDROFO BIOCHIM.BIOPHYS.ACTA V.1824 286 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C2F A:1100;
B:1700;
C:1410;
D:1200;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
459.456 C20 H25 N7 O6 C[N@@...
TAM A:1500;
C:1600;
D:1400;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
163.215 C7 H17 N O3 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3THR 2 Å EC: 2.1.1.20 CRYSTAL STRUCTURE OF RAT NATIVE LIVER GLYCINE N-METHYLTRANSF COMPLEXED WITH 5-METHYLTETRAHYDROFOLATE MONOGLUTAMATE RATTUS NORVEGICUS GLYCINE N-METHYLTRANSFERASE GNMT FOLATE METHYLTRANSFERASEBINDING LIVER CYTOSOL TRANSFERASE-TRANSFERASE INHIBITOR C
Ref.: DIFFERENCES IN FOLATE-PROTEIN INTERACTIONS RESULT I DIFFERING INHIBITION OF NATIVE RAT LIVER AND RECOMB GLYCINE N-METHYLTRANSFERASE BY 5-METHYLTETRAHYDROFO BIOCHIM.BIOPHYS.ACTA V.1824 286 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3THR - C2F C20 H25 N7 O6 C[N@@]1[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3THR - C2F C20 H25 N7 O6 C[N@@]1[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3THR - C2F C20 H25 N7 O6 C[N@@]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: C2F; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 C2F 1 1
2 FFO 0.739583 0.957747
3 TLL 0.635514 0.972603
4 THG 0.623762 0.887324
5 1YJ 0.623762 0.887324
6 THH 0.571429 0.84
7 MEF 0.555556 0.848101
8 FON 0.550459 0.957747
9 THF 0.509091 0.905405
10 1YA 0.486726 0.929577
11 9L9 0.460784 0.819444
12 3TZ 0.456897 0.696203
13 DHF 0.454545 0.887324
14 GHC 0.446429 0.658537
15 DZF 0.446429 0.756757
16 29C 0.444444 0.75
17 29D 0.444444 0.75
18 28Z 0.444444 0.75
19 83A 0.442478 0.74026
20 GHW 0.428571 0.666667
21 FOL 0.421053 0.77027
22 MHF 0.420168 0.848101
23 LYA 0.414414 0.701299
24 NHS 0.40708 0.712329
25 DDF 0.405172 0.813333
26 21V 0.405172 0.813333
27 TMF 0.403361 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3THR; Ligand: C2F; Similar sites found with APoc: 197
This union binding pocket(no: 1) in the query (biounit: 3thr.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1P0Z FLC None
2 1A78 TDG None
3 5KJZ PCG None
4 1Y7P RIP None
5 2YJ0 420 None
6 4L4J NAG NAG BMA MAN NAG 1.35747
7 5KJW 53C 1.36519
8 4N9I PCG 1.42857
9 2A1L PCW 1.48148
10 4OYA 1VE 1.70648
11 1O9U ADZ 1.70648
12 5H2U 1N1 1.87266
13 5NKB 8ZT 2.04778
14 2XK9 XK9 2.04778
15 4N14 WR7 2.04778
16 5MJA 7O3 2.04778
17 5DRB 5FJ 2.06186
18 4YGF AZM 2.13675
19 2HK5 1BM 2.22222
20 5E2N V14 2.28137
21 1F9V ADP 2.38908
22 5MRH Q9Z 2.38908
23 1G9J BGC SGC BGC SGC BGC SGC BGC SGC 2.38908
24 2H8H H8H 2.38908
25 5VC5 96M 2.42215
26 5GLT BGC GAL NAG GAL 2.46479
27 3FW3 ETS 2.63158
28 5ML3 DL3 2.68456
29 2G30 ALA ALA PHE 2.71318
30 4NFN 2KC 2.73038
31 5F2T PLM 2.73038
32 4YRI 4JH 2.73038
33 3BGD PM6 2.73038
34 2VFT SOR 2.73038
35 4MGA 27L 2.7451
36 3OCP CMP 2.8777
37 3I8T LBT 3.04878
38 5JGA 6KC 3.07167
39 1OUK 084 3.07167
40 4RF7 ARG 3.07167
41 2YNE NHW 3.07167
42 2YNE YNE 3.07167
43 2XVD AS6 3.07167
44 5I35 ANP 3.07167
45 1XRO LEU 3.07167
46 3D9F N6C 3.07167
47 3D9F FAD 3.07167
48 5A89 FMN 3.20513
49 5YSI NCA 3.28947
50 4ZU4 4TG 3.37838
51 5NFB 8VT 3.40909
52 4ONA UW1 3.41297
53 4B2Z P5S 3.41297
54 4B0T ADP 3.41297
55 5KBF CMP 3.41297
56 5XVG 8FX 3.41297
57 3WSJ MK1 3.44828
58 3ZJX BOG 3.46021
59 4OFG PCG 3.47222
60 3PP0 03Q 3.5503
61 5DYO FLU 3.66972
62 3OYW TDG 3.73134
63 3VV1 GAL FUC 3.75
64 5DEY 59T 3.75427
65 4WOE ADP 3.75427
66 6GWR FEW 3.75427
67 2X2M X2M 3.75427
68 4LIT AKG 3.75427
69 5X8G S0N 3.75427
70 5N5U 7N8 3.75427
71 4WW8 VD9 3.80228
72 3UB7 ACM 3.8674
73 6FE1 V14 3.89105
74 3T50 FMN 3.90625
75 5BV6 35G 3.94737
76 3SHR CMP 4.09556
77 3TM0 B31 4.18251
78 1Y0G 8PP 4.18848
79 3GC8 B45 4.32432
80 3M3E GAL A2G NPO 4.34783
81 4F4P 0SB 4.3956
82 3WV6 GAL BGC 4.43686
83 4KYS VIB 4.43686
84 3WV6 GAL GLC 4.43686
85 1NE6 SP1 4.59364
86 5UR1 YY9 4.77816
87 3SLS 77D 4.77816
88 2V7O DRN 4.77816
89 1VJY 460 4.77816
90 3ESS 18N 4.78261
91 2D6M LBT 5.03145
92 5N87 N66 5.11945
93 1PN0 IPH 5.11945
94 1PN0 FAD 5.11945
95 2J7T 274 5.11945
96 4CZG QH3 5.11945
97 2OG7 SIN 5.11945
98 2ZRU FMN 5.11945
99 4XIZ LPP 5.29412
100 6CAY ERG 5.32544
101 3QP8 HL0 5.43478
102 2B4Q NAP 5.43478
103 1G51 AMP 5.46075
104 4ASE AV9 5.46075
105 4JJJ CE6 5.46075
106 5X7Q GLC GLC GLC GLC GLC 5.46075
107 5X7Q GLC GLC GLC GLC 5.46075
108 6GIN IR2 5.46075
109 2ET1 GLV 5.47264
110 5C8W PCG 5.59441
111 3VRY B43 5.80205
112 3PE2 E1B 5.80205
113 1C1L GAL BGC 5.83942
114 2Y6O 1N1 5.84192
115 6MPT C30 5.94406
116 5Y80 IRE 6.08108
117 5K8S CMP 6.08108
118 6HOY TSN 6.29139
119 1KGI T4A 6.29921
120 4CQE CQE 6.47482
121 1ZB6 DIN 6.48464
122 1ZB6 GST 6.48464
123 1K97 ASP 6.48464
124 1K97 CIR 6.48464
125 4P5Z Q7M 6.48464
126 5EYP GDP 6.50888
127 3NV3 GAL NAG MAN 6.52174
128 3EM0 CHD 6.52174
129 3KCC CMP 6.53846
130 5SVV FMN 6.56934
131 3G5D 1N1 6.64336
132 4KBA 1QM 6.82594
133 5W4W 9WG 6.82594
134 4ITH RCM 6.82594
135 4R3U 3KK 6.82594
136 4R3U 3HC 6.82594
137 4CSV STI 6.90909
138 2Z77 HE7 7.19424
139 4LA7 A1O 7.25389
140 3OF1 CMP 7.31707
141 3ZO7 K6H 7.44681
142 1LN1 DLP 7.47664
143 2XIQ MLC 7.50853
144 6ES0 BW8 7.50853
145 1Z03 OCH 7.50853
146 2PTM CMP 7.57576
147 4USI ATP 7.79221
148 4KU7 PCG 7.84314
149 5OF1 SAL 8.09524
150 1QAW TRP 8.10811
151 3WG3 A2G GAL NAG FUC 8.42697
152 3PNA CMP 8.44156
153 5EYK 5U5 8.47458
154 5HES 032 8.53242
155 1REQ DCA 8.53242
156 4Y8D 49J 8.57143
157 4WHZ 3NL 8.87372
158 5JAX 6J7 8.88889
159 4D52 GXL 9.21502
160 6FW2 MTE 9.55631
161 2GU8 796 9.55631
162 5T7I LAT NAG GAL 9.67742
163 3JU6 ANP 9.89761
164 5AE9 OKO 9.89761
165 4M1U A2G MBG 10
166 1ULE GLA GAL NAG 10
167 1ELI PYC 10.2389
168 5YJS SAL 10.2389
169 4XMF HSM 10.3261
170 3TYZ PAB 10.3571
171 3TYZ XHP 10.3571
172 1UPR 4IP 10.5691
173 2WPU KYT 10.6918
174 1WUB OTP 11.7978
175 4UAL 3FV 11.9454
176 2J9C ATP 12.605
177 4WW7 AMP 13.0268
178 2QL9 CIT 13.4021
179 6A63 LAT 14.4928
180 5KEW 6SB 14.5833
181 1WAP TRP 14.6667
182 4TWP AXI 14.7601
183 6H39 FGY 14.8649
184 4WO4 JLS 15
185 5U98 1KX 15.1515
186 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 16.1616
187 43CA NPO 16.2393
188 4PSB GA3 16.7742
189 3ZZQ TRP 16.9231
190 3G08 FEE 17.1717
191 3QUZ QUV 17.1717
192 3RUG DB6 17.1717
193 3WUC GLC GAL 18.2482
194 5VGS 9A7 19.1083
195 5VGS 9A4 19.1083
196 5NLD LBT 19.4245
197 5O2D 9HH 19.5
Pocket No.: 2; Query (leader) PDB : 3THR; Ligand: C2F; Similar sites found with APoc: 280
This union binding pocket(no: 2) in the query (biounit: 3thr.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3TA2 AKG None
2 3TA2 ATP None
3 4YEE 4CQ None
4 6E2B PT7 None
5 2GZ3 NAP 1.36519
6 3LZW FAD 1.70648
7 3LZW NAP 1.70648
8 5MLR GRQ 1.70648
9 5MLR NAP 1.70648
10 4AG5 ADP 1.70648
11 1MV8 NAD 1.70648
12 5MW8 ATP 1.70648
13 2AAZ CB3 1.70648
14 4LJ3 C2E 1.79211
15 5KVA SAM 1.79856
16 2WLG SOP 1.86047
17 5TWB FAD 2.04778
18 5MZI FAD 2.04778
19 5MZI FYK 2.04778
20 3LOO B4P 2.04778
21 5DF1 NAP 2.04778
22 5DF1 58X 2.04778
23 3KB6 NAD 2.04778
24 3OV6 MK0 2.04778
25 4V15 PLP 2.04778
26 1ION ADP 2.05761
27 2BNE U5P 2.07469
28 3MQG UDP UDP 2.08333
29 3MQG U5P 2.08333
30 3MQG UDP 2.08333
31 3BAZ NAP 2.1021
32 1V7C HEY 2.2792
33 5YLT C7N 2.28137
34 5YLT SFG 2.28137
35 4XCL AGS 2.3166
36 5MF5 C2E 2.34375
37 5MKG C2E 2.3622
38 4D7E FAD 2.38908
39 4J7H TLO 2.38908
40 1G55 SAH 2.38908
41 1TLL FMN 2.38908
42 1S4P MMA 2.38908
43 1RQ2 CIT 2.38908
44 6AMI TRP 2.38908
45 1P0F NAP 2.38908
46 1S4P GDP 2.38908
47 5A07 GDP 2.38908
48 4FF8 14S 2.38908
49 6AM8 PLT 2.38908
50 1U3U BNF 2.38908
51 1U3U NAD 2.38908
52 3ZKI WZV 2.38908
53 6ECW SAH 2.38908
54 1YS4 NAP 2.38908
55 3GCZ SAM 2.48227
56 5M1T C2E 2.4911
57 3UIE ANP 2.5
58 2WA2 SAM 2.53623
59 1IY8 NAD 2.62172
60 2HF9 GSP 2.65487
61 5JBX MLI 2.68199
62 1U1W 3HA 2.68456
63 2P41 SAH 2.73038
64 3LKZ SFG 2.73038
65 2IVN ANP 2.73038
66 5JJR SAH 2.73038
67 1D6S MET PLP 2.73038
68 4GKV NAD 2.73038
69 1D6S PLP MET 2.73038
70 2ZJ1 ARJ 2.73038
71 2ZJ1 NAD 2.73038
72 1YP4 ADP 2.73038
73 2RGO FAD 2.80066
74 1GAR U89 2.83019
75 3EVF GTA 2.88809
76 3EVF SAH 2.88809
77 4FC7 NAP 2.88809
78 4FC7 COA 2.88809
79 3EVG SAH 2.90909
80 5CUQ NSC 2.99625
81 5DEQ ARA 3.07018
82 6GAR FAD 3.07167
83 3TLJ SAH 3.07167
84 5TPR NAD 3.07167
85 3FGC FMN 3.07167
86 3FPZ AHZ 3.07167
87 3DZD ADP 3.07167
88 3ZOK NAD 3.07167
89 4A0S NAP 3.07167
90 1QM5 GLC GLC GLC PO4 SGC GLC 3.07167
91 3DCM SAM 3.125
92 1RP0 AHZ 3.16901
93 1B1C FMN 3.31492
94 1VL8 NAP 3.37079
95 1DJL NAP 3.38164
96 6G28 AR6 3.41297
97 3VYW SAM 3.41297
98 6G34 5ID 3.41297
99 4E5N NAD 3.41297
100 2B4R NAD 3.41297
101 4NJH 2K8 3.47826
102 4NJH SAM 3.47826
103 3IUY AMP 3.50877
104 3AB1 FAD 3.75427
105 3PT9 SAH 3.75427
106 6EKZ SNP 3.75427
107 4YT4 FE9 3.75427
108 6C2Z P1T 3.75427
109 1CM8 ANP 3.75427
110 1D4O NAP 3.80435
111 1WY7 SAH 3.86473
112 1B8O IMH 3.87324
113 1PN4 HDC 3.92857
114 4N82 FMN 3.93258
115 4TXE 38F 4.09556
116 1YKF NAP 4.09556
117 4Q9N NAI 4.09556
118 1JNR FAD 4.09556
119 3X27 TRP 4.09556
120 6EAC ANP 4.09556
121 1MFD GLA MMA ABE 4.18605
122 2ZXI FAD 4.23862
123 5VJN IR8 4.27807
124 1MH1 GNP 4.30108
125 1RM6 PCD 4.34783
126 1RM6 FAD 4.34783
127 4ZRB COA 4.37956
128 5MW4 5JU 4.43686
129 2PX8 SAH 4.43686
130 3A06 NDP 4.43686
131 3A06 FOM 4.43686
132 4WZ8 3W7 4.43686
133 4ZSY RW2 4.43686
134 1PNO NAP 4.44444
135 1C3V NDP 4.4898
136 4POO SAM 4.5
137 3MB5 SAM 4.70588
138 4N65 AQN 4.71698
139 4N65 FMN 4.71698
140 6FDF SAH 4.77816
141 3E8N VRA 4.77816
142 3E8N ATP 4.77816
143 5X20 NAD 4.77816
144 2X24 X24 4.77816
145 5VW2 FDA 4.77816
146 5VW2 NAP 4.77816
147 2D2I NAP 4.77816
148 5JE8 NAD 4.77816
149 6BII NAP 4.8048
150 3RFV 15L 4.86891
151 3RFV NAI 4.86891
152 1QAN SAH 4.91803
153 6EBQ FMN 5
154 5F7Y GLC GAL NAG GAL FUC A2G 5
155 5F7N NAG GAL FUC FUC A2G 5
156 3S1S SAH 5.11945
157 1N2X SAM 5.11945
158 3GFZ C2E 5.11945
159 2MBR FAD 5.11945
160 2MBR EPU 5.11945
161 5WKC FAD 5.11945
162 2P1M IHP 5.11945
163 2P1O IHP 5.11945
164 2P1O NLA 5.11945
165 4LHW GNP 5.17241
166 3O61 GDD 5.2356
167 3OID NDP 5.42636
168 5AYV KPL 5.46075
169 2BO4 FLC 5.46075
170 2RHO GDP 5.46075
171 2RHO GSP 5.46075
172 2R4J FAD 5.46075
173 2R4J 13P 5.46075
174 4BA5 PXG 5.46075
175 1JV1 UD1 5.46075
176 5EIB GTP 5.46075
177 1RM4 NDP 5.46075
178 3RYC GTP 5.46075
179 2YVJ NAI 5.50459
180 2DBZ NAP 5.68862
181 1RBO CAP 5.69106
182 5OYA CAP 5.7554
183 4E3Q PMP 5.80205
184 1IYE PGU 5.80205
185 1H5T DAU 5.80205
186 1JQY A32 5.82524
187 2GQS C2R 5.90717
188 4D9M 0JO 6.14334
189 2PWY SAH 6.14334
190 1UM0 FMN 6.14334
191 3GDH SAH 6.22407
192 5T9F NAP 6.27306
193 4MUV PCG 6.33803
194 2RDK MAN MAN 6.42202
195 1NM5 NAD 6.48464
196 1NM5 NAP 6.48464
197 2OOR TXP 6.48464
198 5JFL NAD 6.48464
199 3N39 FMN 6.53595
200 1G60 SAM 6.53846
201 3ZLQ 6T9 6.55738
202 2VNI A2P 6.61765
203 2VNI FAD 6.61765
204 1I1N SAH 6.63717
205 3ELW SAM 6.82594
206 3ELW GP3 6.82594
207 4UCI SAM 6.82594
208 5ERG SAM 6.82594
209 5KKA 6V0 6.82594
210 3QPB URA 6.82594
211 3B8Y ADA ADA ADA ADA 6.82594
212 2O4C NAD 6.82594
213 3GXZ NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 6.93069
214 5DEX 5E0 7.06714
215 1OFU GDP 7.16724
216 2ZB3 NDP 7.16724
217 4N49 SAM 7.16724
218 4MIG G3F 7.16724
219 5O1I 9GH 7.30594
220 2AG4 LP3 7.31707
221 2AG4 OLA 7.31707
222 3BFV ADP 7.38007
223 5ULP KB1 7.46269
224 1I9G SAM 7.5
225 1NW5 SAM 7.50853
226 4RVG TYD 7.50853
227 2RHQ GAX 7.50853
228 5BVA FAD 7.50853
229 1DL5 SAH 7.84983
230 4M20 COA 7.87402
231 4JP3 CIT 7.94979
232 4NVP 7CH 8.13397
233 3HP8 SUC 8.18182
234 6CUZ FEV 8.19113
235 2RGH FAD 8.19113
236 2BOY BHO 8.26772
237 1L3I SAH 8.33333
238 2H6B 3C4 8.4
239 2ZSC BTN 8.51064
240 3IID APR 8.53081
241 2ZIF SAM 8.53242
242 5H41 IFM 8.53242
243 3FXU TSU 8.53242
244 5Z21 NAI 9.21502
245 1BZY IMU 9.21659
246 6GAS FAD 9.55631
247 1H82 FAD 9.55631
248 1H82 GZZ 9.55631
249 3QXQ CE5 9.55631
250 1YBH FAD 9.55631
251 5THY SAH 9.89761
252 5THZ SAH 9.89761
253 3W8X FTK 9.89761
254 3W8X FAD 9.89761
255 4TQK NAG 9.89761
256 2V2V V12 10.3321
257 5FUB SAH 10.9215
258 2I4I AMP 10.9215
259 1Q6O LG6 11.5741
260 3VC3 C6P 11.6041
261 5K13 6Q7 11.7886
262 3TKA SAM 12.2867
263 1QFY NAP 12.628
264 1QFY FAD 12.628
265 3ZV6 4HB 14.5907
266 3ZV6 NAD 14.5907
267 2GV8 FAD 14.6758
268 2GVC FAD 14.6758
269 5C9J STE 15.1515
270 2Q4W FAD 16.041
271 4ONQ SFG 16.7235
272 1JG9 GLC 17.4061
273 6D6Y SAH 17.4061
274 4CQM NAP 18.0328
275 6CI9 NAP 18.9189
276 5TH5 7C5 19.0114
277 1XCL SAH 19.1489
278 3F5O UOC COA 19.5946
279 1P1C SAH 22.6131
280 3OU2 SAH 25.6881
Pocket No.: 3; Query (leader) PDB : 3THR; Ligand: C2F; Similar sites found with APoc: 150
This union binding pocket(no: 3) in the query (biounit: 3thr.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZNN 4WL 1.70648
2 3ZNN FAD 1.70648
3 2IBY COA 1.70648
4 1HV9 COA 2.04778
5 2VPQ ANP 2.04778
6 5OYH T99 2.07254
7 4RIF 3R2 2.11082
8 2XBK XBK 2.38908
9 5WRI ASP PHE GLU ASP TYR GLU PHE ASP 2.38908
10 5CKW ANP 2.38908
11 6BJB 1VU 2.38908
12 6E2O S0L 2.38908
13 1V9N NDP 2.38908
14 4D81 ADP 2.4735
15 4RFM 3P6 2.63158
16 3TWD GOB 2.7027
17 2AF6 BRU 2.71318
18 1CSI OAA 2.73038
19 1CSI CMX 2.73038
20 1HYE NAP 2.73038
21 4A2B AGS 2.73038
22 1Z45 UPG 2.73038
23 4A2A ATP 2.73038
24 2E5A LAQ 2.73038
25 1V0O INR 2.77778
26 1QB7 ADE 2.9661
27 5ARK UMP 2.98507
28 4M8E 29V 3.0303
29 4P86 5GP 3.27869
30 3KMT SAH 3.36134
31 4MV1 ADP 3.41297
32 3B6R CRN 3.41297
33 5OVX AY5 3.41297
34 1VRP IOM 3.41297
35 1U6R IOM 3.41297
36 6BJA COA 3.41297
37 5AGR A52 3.44828
38 2JAR UMP 3.5
39 3X1Z GNP 3.59281
40 5FVJ ACO 3.61446
41 4ZNL BEF ADP 3.64964
42 6BFN DL1 3.75427
43 2RCU BUJ 3.75427
44 4ZTE 4RL 3.79147
45 5FRD COA 3.84615
46 5Y1G AKB 3.96341
47 5Y1G NAD 3.96341
48 4R5Z SIN 4.08719
49 5MDH NAD 4.09556
50 6M7X JD7 4.09556
51 4MDH NAD 4.09556
52 2R40 20E 4.18251
53 1QK3 5GP 4.29185
54 1RC0 KT5 4.30622
55 2PS1 ORO 4.42478
56 6F70 GSH 4.43686
57 1LSH PLD 4.43686
58 3S6X SIA GAL BGC 4.43686
59 1PVC ILE SER GLU VAL 4.62185
60 3PAK MAN 4.72973
61 5VFC 9BA 4.77816
62 4AUA 4AU 4.77816
63 2ICY UPG 4.77816
64 3SXN COA 4.77816
65 5XET ME8 4.77816
66 3GQK ATP 4.90798
67 3HY3 10F 4.92611
68 4P83 U5P 4.94506
69 1G79 PLP 5.04587
70 2PEL LBT 5.08475
71 2G86 UMP 5.11945
72 4AZ3 S35 5.16129
73 1LH0 PRP 5.16432
74 3TNF GNP 5.17241
75 4B8V NDG NAG NAG NAG 5.26316
76 4GV8 DUP 5.32544
77 1F9A ATP 5.35714
78 1LLU NAD 5.46075
79 2ORV 4TA 5.55556
80 5ETR APC 5.59006
81 5ETR 5RW 5.59006
82 1WK8 VMS 5.6701
83 4C1Q SAH 5.71429
84 2ZFN ACO 5.80205
85 5C9P FUC 5.80205
86 4EUU BX7 5.80205
87 4K81 GTP 5.84795
88 5JFT ACE ASP GLU VAL ASP 0QE 6.0241
89 4O4K 2PK 6.14334
90 1W4R TTP 6.15385
91 4BJ8 BTN 6.34921
92 2V0C ANZ 6.48464
93 4UBS DIF 6.48464
94 6C1S EFV 6.82594
95 5DH3 5BS 6.82594
96 2CNT COA 6.875
97 3CZ7 ACO 7.16724
98 1N0U SO1 7.16724
99 5T52 NGA 7.43802
100 3HZT J60 7.50853
101 4CME KTZ 7.50853
102 5WSY 7UC 7.51445
103 4LAE NAP 7.78443
104 4LAE 1VM 7.78443
105 6HSP CO8 7.84983
106 6HSP COA 7.84983
107 6HSJ COA 7.84983
108 1JG3 ADN 8.19113
109 3MMG GLU THR VAL ARG PHE GLN SER ASP 8.71369
110 3BC1 GNP 8.71795
111 3WYG GTP 8.79121
112 3PTG 932 8.87372
113 3RAB GNP 8.87574
114 3UYW TAU 8.8785
115 4L6C 0BT 8.91089
116 6G96 ACO 9.09091
117 6EQS BV8 9.09091
118 5O0B 9FE 9.25926
119 3TE4 ACO 9.30233
120 3HRD FAD 9.375
121 5ZI2 NAD 9.55631
122 2DJH 3PD UM3 9.56522
123 5ODQ 9SB 9.78261
124 6EZ6 C5Z 9.89761
125 2HJR APR 10.5802
126 4LXQ TYD 10.5839
127 4LXQ FON 10.5839
128 5O96 SAM 10.6122
129 3SBD GNP 10.6952
130 5LXT GDP 11.2628
131 5LXT 7AK 11.2628
132 5E72 SAM 11.2628
133 1U3G THF 12.1693
134 2AJH MET 12.7551
135 2IO8 ADP 13.6519
136 1L6O SER LEU LYS LEU MET THR THR VAL 13.6842
137 2UWN SCR 13.9037
138 3D04 SAK 14.4654
139 1JYQ MAZ PTR PTM ASN 14.5833
140 4IAE 1DX 15.873
141 5E9W SAH 16.041
142 4PNE SAH 16.041
143 1VC9 ATP 16.6667
144 2DYR PGV 17.3913
145 5ZCO PGV 17.3913
146 5Z84 PGV 17.3913
147 2DYS PGV 17.3913
148 5SZH GNP 20.6897
149 3SJK LYS PRO VAL LEU ARG THR ALA 21.5789
150 3NKV GNP 22.8571
Pocket No.: 4; Query (leader) PDB : 3THR; Ligand: C2F; Similar sites found with APoc: 48
This union binding pocket(no: 4) in the query (biounit: 3thr.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4DC2 ADE 1.70648
2 4XV1 904 1.71233
3 5BVE 4VG 2.04778
4 1JPA ANP 2.04778
5 1TU3 GNP 2.33918
6 5VCV 1N1 2.38908
7 4G31 0WH 2.73038
8 4DQL FAD 2.73038
9 1GPM AMP 3.41297
10 6GNO XDI 3.7037
11 4S1D 41M 3.73832
12 5FBN 5WF 4.05904
13 4QMN DB8 4.43686
14 4FHD 0TT 4.43686
15 4FHD EEM 4.43686
16 3BRN SRO 4.4586
17 4YLZ LAT NAG GAL 4.57516
18 3LXK MI1 4.58716
19 5YRV 5AD 4.77816
20 2YAK OSV 5.26316
21 3VHE 42Q 5.46075
22 1T27 PCW 5.53506
23 2AGC DAO 5.55556
24 6FA4 D1W 5.78035
25 2Z3U CRR 5.80205
26 5YF9 NIO 5.80205
27 6F3G CJN 6.14334
28 6BQC LOP 6.82594
29 5HCY 60D 7.16724
30 4K55 H6P 7.25806
31 6C6O ENG 7.50853
32 4LOO SB4 7.84983
33 3ZGJ RMN 8.19113
34 6GQM F8H 8.53242
35 1OKE BOG 8.87372
36 3E7O 35F 9.21502
37 3ZZS TRP 9.23077
38 2XG5 EC5 9.82659
39 2XG5 EC2 9.82659
40 6AC9 ANP 9.89761
41 2OFV 242 10.1083
42 4EWH T77 10.9091
43 5D9G GLU ASN LEU TYR PHE GLN 10.9756
44 3SAO DBH 13.75
45 1OPK P16 13.9932
46 2VQ5 HBA 14.4279
47 5H9Q TD2 14.8387
48 2P4Y C03 15.1625
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