Receptor
PDB id Resolution Class Description Source Keywords
3PC3 1.55 Å EC: 4.2.1.22 FULL LENGTH STRUCTURE OF CYSTATHIONINE BETA-SYNTHASE FROM DR IN COMPLEX WITH AMINOACRYLATE DROSOPHILA MELANOGASTER CBS SYNTHASE PLP HEME AMINOACRYLATE LYASE
Ref.: STRUCTURAL BASIS FOR SUBSTRATE ACTIVATION AND REGUL CYSTATHIONINE BETA-SYNTHASE (CBS) DOMAINS IN CYSTAT {BETA}-SYNTHASE. PROC.NATL.ACAD.SCI.USA V. 107 20958 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:701;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
P1T A:702;
Valid;
none;
submit data
318.22 C11 H15 N2 O7 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PC3 1.55 Å EC: 4.2.1.22 FULL LENGTH STRUCTURE OF CYSTATHIONINE BETA-SYNTHASE FROM DR IN COMPLEX WITH AMINOACRYLATE DROSOPHILA MELANOGASTER CBS SYNTHASE PLP HEME AMINOACRYLATE LYASE
Ref.: STRUCTURAL BASIS FOR SUBSTRATE ACTIVATION AND REGUL CYSTATHIONINE BETA-SYNTHASE (CBS) DOMAINS IN CYSTAT {BETA}-SYNTHASE. PROC.NATL.ACAD.SCI.USA V. 107 20958 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3PC3 - P1T C11 H15 N2 O7 P Cc1c(c(c(c....
2 3PC4 - KOU C11 H15 N2 O8 P Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3PC3 - P1T C11 H15 N2 O7 P Cc1c(c(c(c....
2 3PC4 - KOU C11 H15 N2 O8 P Cc1c(c(c(c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3PC3 - P1T C11 H15 N2 O7 P Cc1c(c(c(c....
2 3PC4 - KOU C11 H15 N2 O8 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P1T; Similar ligands found: 68
No: Ligand ECFP6 Tc MDL keys Tc
1 P1T 1 1
2 PLG 0.651515 0.890625
3 HEY 0.643836 0.923077
4 3LM 0.635135 0.867647
5 5PA 0.628571 0.878788
6 PP3 0.623188 0.875
7 PDA 0.623188 0.875
8 PDD 0.623188 0.875
9 IK2 0.614286 0.850746
10 2BK 0.605634 0.875
11 2BO 0.605634 0.875
12 PLS 0.605634 0.920635
13 TLP 0.605634 0.875
14 IN5 0.602941 0.84375
15 C6P 0.597222 0.920635
16 PPD 0.597222 0.920635
17 PY5 0.589041 0.865672
18 PLA 0.589041 0.865672
19 PMG 0.586667 0.84058
20 ILP 0.573333 0.848485
21 PDG 0.573333 0.892308
22 PGU 0.573333 0.892308
23 CBA 0.573333 0.835821
24 7XF 0.573333 0.892308
25 PMP 0.571429 0.825397
26 QLP 0.565789 0.84058
27 PMH 0.561644 0.679487
28 PY6 0.558442 0.84058
29 76U 0.558442 0.850746
30 PXP 0.555556 0.761905
31 PSZ 0.551282 0.774648
32 EA5 0.551282 0.852941
33 N5F 0.551282 0.878788
34 ORX 0.551282 0.878788
35 PL4 0.55 0.878788
36 33P 0.547945 0.80303
37 PL2 0.545455 0.760563
38 PE1 0.544304 0.878788
39 GT1 0.538462 0.686567
40 KAM 0.536585 0.823529
41 7TS 0.532468 0.753247
42 RW2 0.530864 0.909091
43 PXG 0.530864 0.833333
44 PLP 2KZ 0.513158 0.888889
45 DCS 0.506329 0.74026
46 AQ3 0.494253 0.865672
47 PPG 0.488095 0.850746
48 9YM 0.487805 0.808824
49 PL8 0.470588 0.833333
50 PLP ALO 0.461538 0.830769
51 1D0 0.460674 0.826087
52 0JO 0.460526 0.828125
53 7B9 0.45977 0.869565
54 PLR 0.446154 0.671875
55 AN7 0.44 0.746032
56 FOO 0.434211 0.78125
57 PLP 0.426471 0.714286
58 4LM 0.423077 0.784615
59 PZP 0.42029 0.71875
60 CAN PLP 0.418605 0.811594
61 LCS 0.416667 0.683544
62 GLY PLP 0.415584 0.753846
63 P0P 0.414286 0.714286
64 PLP SER 0.405063 0.753846
65 Z98 0.404762 0.80597
66 GAB PLP 0.404494 0.791045
67 GBC PLP 0.404494 0.791045
68 0LD 0.4 0.662791
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PC3; Ligand: P1T; Similar sites found: 484
This union binding pocket(no: 1) in the query (biounit: 3pc3.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.0004215 0.52776 None
2 3KPE TM3 0.02052 0.40107 None
3 1V35 NAI 0.003051 0.41326 0.911854
4 4GYW UDP 0.0007225 0.42458 0.948767
5 2FOI JPA 0.0005078 0.44665 1.11524
6 2ZWS PLM 0.01785 0.43763 1.13852
7 4HA6 FAD 0.0002243 0.45605 1.37795
8 4KCT PYR 0.003934 0.41656 1.40281
9 3OND ADN 0.005581 0.4093 1.43443
10 3OND NAD 0.005581 0.4093 1.43443
11 3GTD MLI 0.00129 0.44837 1.45228
12 3Q9T FAY 0.000274 0.4471 1.51803
13 3A1I UNU 0.001444 0.42881 1.51803
14 1EB9 HBA 0.0004188 0.44421 1.52672
15 3D2Y AH0 ALA FGA LYS 0.0008454 0.4139 1.53257
16 4Q3R XA2 0.001128 0.40898 1.55844
17 4LHM AZZ 0.002615 0.43506 1.59091
18 1MOQ GLP 0.0006648 0.41745 1.63043
19 2NCD ADP 0.00201 0.44001 1.66667
20 1SB8 UD2 0.001552 0.43312 1.70455
21 1SB8 NAD 0.005028 0.41095 1.70455
22 3WE0 FAD 0.0007326 0.43754 1.70778
23 4B2D FBP 0.007874 0.40854 1.70778
24 1KTC NGA 0.002364 0.43105 1.7284
25 3DER ALA LYS 0.00006807 0.44116 1.73913
26 2GSD NAD 0.002353 0.41069 1.74129
27 3MPI GRA 0.01041 0.40325 1.76322
28 2NVK NAP 0.002478 0.43019 1.84426
29 4A3R CIT 0.004436 0.40108 1.86047
30 4M51 BEZ 0.0001716 0.51301 1.87354
31 1UMP SQA 0.001744 0.40269 1.89753
32 1UBY DMA 0.0001399 0.41831 1.90736
33 2BJK NAD 0.0009854 0.44085 1.93798
34 4USQ FAD 0.001381 0.41751 1.93906
35 1I2B UPG 0.03334 0.41006 1.9802
36 1I2B NAD 0.03334 0.41006 1.9802
37 1I2B USQ 0.03334 0.41006 1.9802
38 2GND MAN 0.01102 0.4215 1.98413
39 1DLJ UGA 0.001227 0.43515 1.99005
40 1DLJ NAI 0.01059 0.4007 1.99005
41 2PP3 LGT 0.0005964 0.43314 2.01005
42 2HW1 ANP 0.0004945 0.41337 2.01342
43 1LYX PGA 0.0001419 0.41212 2.01613
44 2VHL GLP 0.01188 0.41177 2.0202
45 2JFV FLC 0.00322 0.43732 2.06186
46 2WUF KEM 0.0008625 0.40935 2.06186
47 3OBT SLB 0.0009648 0.47754 2.07373
48 5CDH TLA 0.0424 0.41182 2.08333
49 2EFJ SAH 0.0005758 0.40033 2.08333
50 2Q28 ADP 0.001107 0.40591 2.08729
51 1N6B DMZ 0.003219 0.40821 2.11416
52 2XCG XCG 0.0004028 0.43035 2.11538
53 3F3E LEU 0.0003088 0.44402 2.11946
54 3LTW HLZ 0.003891 0.43363 2.14286
55 4NAO AKG 0.001448 0.4602 2.14724
56 2HFK E4H 0.0001335 0.48331 2.19436
57 4KCF AKM 0.004583 0.41411 2.20264
58 1Q0H NDP 0.0009889 0.43676 2.21675
59 1Q0H FOM 0.002167 0.42248 2.21675
60 3RO7 TDR 0.001736 0.40587 2.26415
61 4A6D SAM 0.0005348 0.4087 2.26629
62 3GWT 066 0.001979 0.40821 2.26629
63 3K37 BCZ 0.00782 0.42008 2.267
64 2DTX BMA 0.001512 0.42201 2.27273
65 1GJW GLC 0.002206 0.45168 2.27704
66 1WDA BAG 0.002701 0.42319 2.27704
67 1GJW MAL 0.002997 0.41634 2.27704
68 3MAG 3MA 0.03239 0.41545 2.28013
69 4C6F NCD 0.00275 0.41781 2.29008
70 4C6F DOR 0.00275 0.41781 2.29008
71 2WQP WQP 0.0007721 0.4161 2.29226
72 2IMP NAI 0.0132 0.41226 2.29645
73 3NKS FAD 0.004409 0.4034 2.30608
74 4K91 SIN 0.01257 0.42347 2.31214
75 1OAA OAA 0.004565 0.4089 2.3166
76 4M37 SAH 0.0007117 0.41226 2.33236
77 3DGB MUC 0.001831 0.41979 2.35602
78 3FC2 IBI 0.002473 0.40355 2.38806
79 4KOA NDP 0.001029 0.41522 2.4024
80 3DG6 MUC 0.003094 0.40666 2.45232
81 4IVG ANP 0.001324 0.43394 2.46679
82 2ZJF BSU 0.003488 0.41375 2.48619
83 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.002062 0.4183 2.5
84 1TDF NAP 0.0005317 0.46281 2.53165
85 1TDF FAD 0.001238 0.43226 2.53165
86 3TO7 COA 0.0009157 0.4286 2.53623
87 4O1M NAD 0.0008483 0.41935 2.53968
88 3TXO 07U 0.00007597 0.41825 2.54958
89 2Z9V PXM 0.001569 0.4385 2.55102
90 2ZL4 ALA ALA ALA ALA 0.03065 0.40227 2.55102
91 1QXA GLY GLY GLY 0.02414 0.40417 2.55319
92 1JA9 PYQ 0.002276 0.40337 2.55474
93 1JA9 NDP 0.02044 0.40051 2.55474
94 2XVE FAD 0.004902 0.4205 2.58621
95 3I51 45C 0.0007565 0.43443 2.59259
96 1R37 NAD 0.0007258 0.42721 2.59366
97 1LVL FAD 0.001898 0.42265 2.62009
98 4OB6 S2T 0.0005817 0.42859 2.6393
99 2Q1S NAI 0.004 0.41098 2.65252
100 3BRE C2E 0.004789 0.42957 2.65655
101 2BH9 NAP 0.00162 0.41259 2.65849
102 2C5S AMP 0.004381 0.41466 2.66344
103 1XHL NDP 0.002323 0.40715 2.6936
104 1HGX 5GP 0.01399 0.41247 2.73224
105 3O2K DST 0.000435 0.46184 2.74262
106 3O2K QRP 0.002894 0.41693 2.74262
107 2Q37 3AL 0.0004984 0.46625 2.76243
108 1F1V DHY 0.0005827 0.45021 2.78638
109 1QDS PGA 0.0005317 0.44586 2.78884
110 3JQ3 ADP 0.0006672 0.44199 2.8463
111 3RF4 FUN 0.005001 0.4174 2.8463
112 2C7G FAD 0.002444 0.42823 2.85088
113 2C7G ODP 0.002937 0.42447 2.85088
114 2OYS FMN 0.0001793 0.42758 2.89256
115 1KBI FMN 0.00007852 0.41183 2.93542
116 1KBI PYR 0.00007852 0.41183 2.93542
117 1QB7 ADE 0.007034 0.42291 2.9661
118 1R6D NAD 0.002624 0.42549 2.96736
119 1R6D DAU 0.01132 0.40115 2.96736
120 3SHR CMP 0.004227 0.41046 3.01003
121 2PUL ACP 0.0004444 0.40008 3.02267
122 3B96 MYA 0.0002135 0.4211 3.03605
123 4OE4 NAD 0.001833 0.40867 3.03605
124 3A2Y TS5 0.002542 0.40148 3.04569
125 1Y42 TYR 0.0002931 0.46902 3.06122
126 4JK3 NAD 0.002674 0.401 3.0888
127 4DYO SD4 0.004882 0.41276 3.09278
128 3O03 NAP 0.01327 0.40144 3.09278
129 2J07 FAD 0.008073 0.40424 3.09524
130 2J07 HDF 0.008073 0.40424 3.09524
131 2XK9 XK9 0.0005145 0.43239 3.10559
132 3TFC PEP 0.008911 0.40686 3.11688
133 4K30 NLG 0.001365 0.44104 3.125
134 1BUC CAA 0.001378 0.40442 3.13316
135 1O9U ADZ 0.0005602 0.49784 3.14286
136 2IXB A2G 0.001628 0.41977 3.15315
137 2IXB NAD 0.001324 0.41418 3.15315
138 4M5P MLA 0.002285 0.47648 3.1941
139 4M5P 23W 0.00766 0.43314 3.1941
140 2VAR ANP 0.0002892 0.42089 3.19489
141 3P3N AKG 0.001288 0.45518 3.22581
142 2ZJ5 ADP 0.001643 0.44381 3.22581
143 2WA4 069 0.000882 0.43188 3.22581
144 1SOW NAD 0.00236 0.40692 3.22581
145 1Q3Q ANP 0.01038 0.40545 3.22581
146 1SQ5 ADP 0.0008977 0.43159 3.24675
147 1SQ5 PAU 0.002936 0.4271 3.24675
148 1B5E DCM 0.003934 0.41657 3.25203
149 3BW2 FMN 0.002056 0.40628 3.25203
150 2ALG HP6 0.0007417 0.40769 3.26087
151 2ALG DAO 0.0007417 0.40769 3.26087
152 3I8P 840 0.00192 0.40994 3.27869
153 1KYQ NAD 0.0008487 0.41384 3.28467
154 3Q3C NAD 0.009199 0.4045 3.34448
155 3ZPG 5GP 0.02011 0.41924 3.40314
156 4GQB 0XU 0.007084 0.40871 3.48837
157 2Z4T C5P 0.009536 0.41645 3.50195
158 1IYE PGU 0.002503 0.40473 3.55987
159 4R33 SAH 0.00299 0.40464 3.57143
160 4R33 TRP 0.00299 0.40464 3.57143
161 2IZ1 ATR 0.001862 0.448 3.5865
162 1I0Z OXM 0.001642 0.47428 3.6036
163 1VDC FAD 0.0004116 0.45066 3.6036
164 2V6O FAD 0.004012 0.43019 3.60531
165 1V6A TRE 0.001072 0.45183 3.61446
166 2VHJ ADP 0.0005537 0.40827 3.62538
167 1PEA ACM 0.009316 0.42901 3.63636
168 1KBJ FMN 0.00017 0.43626 3.64078
169 1Y9Q MED 0.009545 0.41609 3.64583
170 2VDJ HSE 0.01672 0.41665 3.65448
171 1T0I FMN 0.0002345 0.41631 3.66492
172 4PTZ FMN 0.001324 0.4114 3.66492
173 1XVV CCQ 0.002192 0.4163 3.67647
174 1XTT U5P 0.003719 0.42337 3.7037
175 2QLX RM4 0.01184 0.41764 3.7037
176 2EB5 OXL 0.001772 0.44896 3.74532
177 1HFS L04 0.003733 0.40007 3.75
178 3NYQ AMP 0.002102 0.40994 3.76238
179 1E4E PHY 0.0009205 0.42142 3.79009
180 1P9B IMO 0.0003499 0.42405 3.84615
181 4CCO OGA 0.0007379 0.45223 3.85439
182 1RP0 AHZ 0.004544 0.42568 3.87324
183 2Q2V NAD 0.001133 0.4165 3.92157
184 2ZYF AKG 0.003257 0.41989 3.9267
185 1NHZ 486 0.0004817 0.40895 3.92857
186 1VJT NAD 0.0003946 0.41294 3.93375
187 3MD0 GDP 0.005523 0.41058 3.94366
188 4N7C AEF 0.001275 0.46278 3.97727
189 2B4Q NAP 0.001425 0.41169 3.98551
190 1NNS ASP 0.003119 0.41566 3.98773
191 4CS4 AXZ 0.001707 0.42431 4.0146
192 4CS4 ANP 0.001432 0.4206 4.0146
193 1OTH PAO 0.00231 0.40724 4.04984
194 4LTN NAI 0.006351 0.40724 4.06091
195 2Q1A 2KT 0.0003301 0.48171 4.09556
196 1M5W DXP 0.01755 0.41186 4.11523
197 3OIG NAD 0.01247 0.40381 4.13534
198 1TUF AZ1 0.0005589 0.41735 4.14747
199 1FIQ FAD 0.00177 0.41377 4.17457
200 1FIQ MTE 0.001292 0.41314 4.17457
201 1FIQ SAL 0.001655 0.41221 4.17457
202 3BY8 MLT 0.00008434 0.51767 4.22535
203 1JH7 UVC 0.01314 0.40461 4.2328
204 3SIX GDP 0.0008697 0.43212 4.24242
205 2VBQ BSJ 0.003682 0.40273 4.24242
206 2Y7G AAE 0.001503 0.41376 4.25532
207 1PZM 5GP 0.00619 0.43025 4.2654
208 3PNL ADP 0.0007585 0.40932 4.2654
209 3U4C NDP 0.002484 0.40208 4.27046
210 3TN7 NJP 0.0006117 0.42565 4.28016
211 3FPZ AHZ 0.008263 0.42023 4.29448
212 2Q8H TF4 0.001057 0.48393 4.36433
213 4RJK PYR 0.001304 0.47039 4.36433
214 4AF0 IMP 0.007901 0.40377 4.36433
215 3R51 MMA 0.0007327 0.49196 4.375
216 1U7Z PMT 0.0008958 0.42273 4.42478
217 1RZM E4P 0.008585 0.42416 4.43787
218 1RZM PEP 0.008528 0.40766 4.43787
219 2WCI GSH 0.01085 0.40823 4.44444
220 1RYI GOA 0.0007744 0.43667 4.45026
221 1RYI FAD 0.001901 0.42061 4.45026
222 1IM8 SAI 0.0004627 0.4143 4.5082
223 4MOB ADP 0.001675 0.40991 4.51807
224 1W7F ICT 0.02513 0.40377 4.56026
225 1QO0 BMD 0.002456 0.4426 4.59184
226 4JLS 3ZE 0.01572 0.41764 4.60526
227 1X54 4AD 0.0001251 0.43878 4.60829
228 4E28 0MZ 0.01675 0.4 4.61538
229 3NGU ADP 0.004289 0.40141 4.63576
230 1B9I PXG 0.0004086 0.41998 4.63918
231 1QF5 GDP 0.0006162 0.44426 4.64037
232 1QF5 RPL 0.0006162 0.44426 4.64037
233 4JWX 1N4 0.01044 0.40397 4.64286
234 4LSJ LSJ 0.0004424 0.41493 4.65116
235 1D6H COA 0.007583 0.40095 4.65116
236 4CMF PXG 0.006543 0.40841 4.65839
237 1KSK URA 0.007256 0.43301 4.70085
238 2OG2 MLI 0.03766 0.40968 4.73538
239 1WVG APR 0.001919 0.40131 4.73538
240 2Y7P SAL 0.0004192 0.46251 4.74383
241 3V1U NAD 0.001991 0.40078 4.74383
242 1LCP PLU 0.0005418 0.41955 4.75207
243 3UEC ALA ARG TPO LYS 0.001063 0.46645 4.79452
244 2FR6 URI 0.00021 0.43448 4.79452
245 2FR6 CTN 0.001803 0.4027 4.79452
246 3QVL 5HY 0.0008777 0.4326 4.89796
247 2YVF FAD 0.0006562 0.45276 4.90196
248 2YVF NAD 0.0006879 0.45276 4.90196
249 3F81 STT 0.00016 0.51449 4.91803
250 1PR9 NAP 0.001351 0.41656 4.91803
251 3D3W NAP 0.001836 0.40933 4.91803
252 3FSJ D7K 0.007934 0.41637 4.93359
253 1UF5 CDT 0.003479 0.41379 4.93359
254 2C31 TZD 0.02015 0.40241 4.93359
255 2C31 ADP 0.01951 0.40241 4.93359
256 1M5B BN1 0.003501 0.42315 4.94297
257 1JIL 485 0.00004471 0.44283 5
258 3DAG FEG 0.0005901 0.41831 5.02793
259 1Z44 NPO 0.004726 0.46969 5.02959
260 4EKV BTN 0.001991 0.41075 5.03145
261 4F2Q QUS 0.00003848 0.42491 5.03876
262 2X61 CH 0.001156 0.41891 5.03876
263 2X61 NGA GAL SIA 0.004545 0.41891 5.03876
264 1P4V GLY 0.01922 0.41212 5.08475
265 2B7N NTM 0.00008747 0.49897 5.12821
266 1B8U OAA 0.001295 0.41587 5.16717
267 3MTW M3R 0.0004066 0.40335 5.21092
268 1H8G CHT 0.01138 0.44852 5.26316
269 2WGC SIA GAL BGC 0.02438 0.43007 5.26316
270 1KOL NAD 0.000846 0.42742 5.27638
271 3P7I P7I 0.0008677 0.44928 5.29595
272 2PT9 2MH 0.0002858 0.44125 5.29595
273 1QPB PYM 0.0002794 0.43084 5.31309
274 4IOK ADP 0.0003353 0.4282 5.31309
275 4IOK XPO 0.0007482 0.41138 5.31309
276 2P1O IHP 0.002226 0.4051 5.31309
277 2P1O NLA 0.002226 0.4051 5.31309
278 2P1M IHP 0.001871 0.40168 5.31309
279 2YCD GTB 0.005477 0.40162 5.31309
280 1ZJ6 G3D 0.003582 0.40867 5.34759
281 2V7T SAH 0.01225 0.4175 5.35117
282 4WOV 3SM 0.04021 0.41041 5.36278
283 1V7R CIT 0.03432 0.41411 5.37634
284 1GSA ADP 0.001155 0.4343 5.37975
285 1E5F PLP 0.001537 0.41341 5.44554
286 4INB 1F6 0.0008888 0.40224 5.47945
287 3ICC NAP 0.0009367 0.42071 5.4902
288 1ECM TSA 0.003738 0.41746 5.50459
289 1H6C NDP 0.003466 0.40708 5.54273
290 1SJW NGV 0.0002724 0.44044 5.55556
291 2W3L DRO 0.008378 0.43853 5.55556
292 3SJ0 DXC 0.005259 0.4341 5.6338
293 3GJB AKG 0.002387 0.42537 5.64263
294 1BTN I3P 0.007598 0.46139 5.66038
295 1YOA FMN 0.02754 0.42711 5.66038
296 4B8V NDG NAG NAG NAG 0.000898 0.41391 5.70175
297 1EDO NAP 0.004792 0.42479 5.7377
298 2WMO GTP 0.00188 0.41468 5.78947
299 3QV9 QV7 0.002644 0.43485 5.81162
300 1C1L GAL BGC 0.0263 0.40136 5.83942
301 2YDW WSH 0.0008244 0.43838 5.88235
302 2O2C G6Q 0.002362 0.4067 5.88235
303 4NTD FAD 0.005164 0.40205 5.88235
304 3K9W ADE 0.03599 0.4009 5.88235
305 3K9W 4PS 0.03599 0.4009 5.88235
306 3TA2 AKG 0.002664 0.40106 5.9322
307 2XD9 XD9 0.02254 0.42045 5.98802
308 3RFV NAI 0.001279 0.41033 5.99251
309 1C0I FAD 0.0007616 0.43896 6.06061
310 1C0I BE2 0.0007616 0.43896 6.06061
311 2QCX PF1 0.002654 0.43478 6.08365
312 5RHN 8BR 0.002239 0.40753 6.08696
313 2YC5 6BC 0.002101 0.4124 6.14035
314 1RKD ADP 0.0003032 0.43754 6.14887
315 1RKD RIB 0.0003032 0.43754 6.14887
316 4KQI RBZ 0.0006828 0.42401 6.17978
317 4KQI NIO 0.0006828 0.42401 6.17978
318 2BOI MFU 0.000314 0.46777 6.19469
319 1RYD NDP 0.003376 0.40748 6.20155
320 1A27 EST 0.003101 0.40244 6.22837
321 1K6M AGS 0.0005603 0.40593 6.25
322 1V5F TPP 0.02987 0.4171 6.26186
323 1V5F FAD 0.02987 0.4171 6.26186
324 3QDY A2G GAL 0.0005176 0.48982 6.29371
325 3QDT A2G GAL 0.0006666 0.4845 6.29371
326 3QDY CBS 0.007673 0.42644 6.29371
327 4W6Z 8ID 0.001695 0.41685 6.34006
328 1CKM GTP 0.000558 0.45097 6.36364
329 2ZSC BTN 0.001056 0.42395 6.38298
330 1TIW FAD 0.001244 0.4239 6.45161
331 1TIW TFB 0.001244 0.4239 6.45161
332 4WVH ASP HIS ASP ALA HIS ALA 0.004314 0.41494 6.45161
333 4COQ SAN 0.00252 0.4421 6.47773
334 3RKR NAP 0.0001889 0.40059 6.48855
335 1YOE RIB 0.002781 0.40043 6.52174
336 4JCA CIT 0.0004209 0.5152 6.58683
337 1A8S PPI 0.002572 0.41652 6.59341
338 4D9M 0JO 0.00000001963 0.61624 6.78392
339 1UXG NAD 0.003556 0.40778 6.79612
340 1UXG FUM 0.003556 0.40778 6.79612
341 4PB2 5UD 0.002016 0.40105 6.83962
342 4AT0 FAD 0.001025 0.43619 6.86275
343 3A2Q ACA ACA 0.0004621 0.40258 6.89655
344 1X1T NAD 0.005091 0.425 6.92308
345 9LDB NAD 0.001454 0.4128 6.92771
346 9LDT NAD 0.002424 0.4052 6.92771
347 1HDR NAD 0.007235 0.40599 6.96721
348 1T0S BML 0.00117 0.47267 6.97674
349 4DQ2 BTX 0.001411 0.41039 7.0122
350 4O8A FAD 0.000761 0.42241 7.02087
351 1ZS6 ADP 0.003311 0.4196 7.10059
352 1BGQ RDC 0.0006528 0.41853 7.11111
353 1YBH FAD 0.001963 0.418 7.21063
354 3BHO B4P 0.007543 0.44909 7.21154
355 3WBF API 0.00236 0.4082 7.21311
356 1BDB NAD 0.008092 0.41722 7.22022
357 2IYG FMN 0.00113 0.42779 7.25806
358 3R35 4CO 0.000424 0.43109 7.28477
359 3KJQ B94 0.0008173 0.43315 7.36842
360 2XDQ MGX 0.0002708 0.51376 7.4364
361 1F3L SAH 0.000887 0.40018 7.47664
362 1ZK7 FAD 0.0003818 0.44983 7.49465
363 1MXI SAH 0.0002136 0.43423 7.5
364 4DA6 GA2 0.00662 0.41132 7.50988
365 2YBQ UP2 0.001146 0.42281 7.53425
366 4B9E FAH 0.004483 0.43734 7.59013
367 2ZB3 NDP 0.002542 0.40175 7.64873
368 4NVP 7CH 0.003437 0.40495 7.6555
369 1MZV AMP 0.007752 0.42084 7.65957
370 1WVC CTP 0.02195 0.40553 7.72201
371 1ZFJ IMP 0.01119 0.42181 7.73931
372 1D3V ABH 0.0006111 0.41781 7.73994
373 2AEB ABH 0.001051 0.40999 7.76398
374 3PLN U5P 0.004059 0.4212 7.78302
375 1F5F DHT 0.001168 0.41331 7.80488
376 3DCM SAM 0.0007931 0.40314 7.8125
377 3BL6 FMC 0.00005538 0.43613 7.82609
378 1NVU GTP 0.004523 0.41748 7.83133
379 3DDC GNP 0.001564 0.40426 7.83133
380 3I7S PYR 0.007605 0.43593 7.87671
381 4OHB 5HM 0.001778 0.41114 7.89474
382 4TMK T5A 0.02732 0.41049 7.98122
383 1ULE GLA GAL NAG 0.007477 0.43365 8
384 4EXO PYR 0.008233 0.43162 8.21918
385 4IXW IXW 0.007551 0.40505 8.26772
386 1XE7 GUN 0.006464 0.44423 8.37438
387 3ZOD FMN 0.002062 0.40184 8.37696
388 3ZOD HQE 0.002062 0.40184 8.37696
389 4BMO FMN 0.001529 0.40459 8.40336
390 2JKY 5GP 0.006865 0.41508 8.4507
391 2F2U M77 0.0008321 0.43822 8.45771
392 1LTH NAD 0.005146 0.41386 8.46395
393 2RDT FMN 0.01262 0.40086 8.52713
394 2RDT 2RD 0.01869 0.40086 8.52713
395 3VPD ANP 0.0006022 0.41061 8.54093
396 1Q11 TYE 0.0008537 0.44958 8.87097
397 2O66 FLC 0.001501 0.44551 8.88889
398 2J7T 274 0.001161 0.41325 8.9404
399 3CF6 SP1 0.0004476 0.43268 8.98204
400 1EP2 ORO 0.0002057 0.4462 9.00322
401 1EP2 FMN 0.0002235 0.43579 9.00322
402 3MBI HSX 0.004087 0.43928 9.05923
403 4D9C PMP 0.00006198 0.46278 9.06433
404 1YRX FMN 0.002179 0.41231 9.09091
405 4J7H TLO 0.0005068 0.41303 9.12951
406 3KMT SAH 0.001258 0.42114 9.2437
407 1FW1 GSH 0.001039 0.42421 9.25926
408 1NU4 MLA 0.01279 0.43695 9.27835
409 2GDZ NAD 0.001754 0.40862 9.3633
410 1QD0 RR6 0.001674 0.42128 9.375
411 1ML4 PAL 0.001409 0.40325 9.41558
412 4GO7 THR 0.00548 0.40602 9.5
413 3EXS 5RP 0.02035 0.42623 9.50226
414 3EW2 BTN 0.0008059 0.4445 9.62963
415 3LZW FAD 0.0001464 0.45671 9.63855
416 3LZW NAP 0.0006917 0.45031 9.63855
417 4FC7 NAP 0.01807 0.4037 9.74729
418 1V2X SAM 0.0009892 0.40075 9.79381
419 2Y6P CTP 0.004714 0.4086 9.82906
420 2OFE NAG 0.009526 0.41613 9.85915
421 2BES RES 0.0104 0.41052 9.88372
422 1E7S NAP 0.0008339 0.42244 9.96885
423 1U5R ATP 0.0008216 0.4232 10.0575
424 4G4S LDZ 0.002586 0.40122 10.2439
425 4F8L GAL 0.01093 0.4495 10.3448
426 3K3K A8S 0.0009001 0.40169 10.4265
427 1A69 FMB 0.0145 0.40263 10.5042
428 1TUV VK3 0.0003486 0.50823 10.5263
429 1W8S FBP 0.01268 0.40265 10.6464
430 2E1A MSE 0.0009699 0.44124 10.6667
431 2GJ3 FAD 0.002791 0.43749 10.8333
432 2EWM NAD 0.0006934 0.42379 10.8434
433 1ZZ7 S0H 0.002912 0.42725 11.1111
434 1DR1 NAP 0.001896 0.41631 11.1111
435 1DR1 HBI 0.001896 0.41631 11.1111
436 2AE2 NAP 0.003499 0.41012 11.1538
437 2AE2 PTO 0.003499 0.41012 11.1538
438 2H6B 3C4 0.005848 0.41333 11.2
439 1W7J ADP BEF 0.002044 0.4048 11.2583
440 1G8S MET 0.0003018 0.48345 11.3043
441 2HGZ PBF 0.00008349 0.44457 11.4379
442 1N9L FMN 0.0006978 0.41674 11.9266
443 3GM5 CIT 0.001496 0.45226 11.9497
444 3LN9 FLC 0.01666 0.41484 12.2302
445 1S8F GDP 0.0011 0.4233 12.4294
446 1LDM NAD 0.00516 0.421 12.462
447 4CO3 ATP 0.002681 0.41676 12.5
448 3H86 AP5 0.005946 0.41192 12.5
449 4N02 FNR 0.002183 0.42764 12.605
450 1TU3 GNP 0.0008092 0.41376 12.6582
451 1Y75 NAG 0.001064 0.43961 12.7119
452 2F59 INI 0.0004362 0.42368 12.7389
453 4C0X AQN 0.002199 0.40665 12.8079
454 2AWN ADP 0.03682 0.40349 12.8609
455 2YLD CMO 0.02074 0.40087 13.3858
456 3TKA CTN 0.000491 0.54164 13.5447
457 3TKA SAM 0.0002175 0.42488 13.5447
458 2FWP CIT 0.002935 0.40236 13.6612
459 1RBO CAP 0.0441 0.40529 13.8211
460 3ZZS TRP 0.0004205 0.43676 13.8462
461 1DQN IMU 0.01298 0.41411 13.913
462 4NAT ADP 0.01257 0.41412 14.375
463 4NAT 2W5 0.004157 0.4043 14.375
464 2QV7 ADP 0.0003973 0.43454 14.5401
465 2V5E SCR 0.007665 0.44872 15
466 1XX4 BAM 0.003097 0.46038 15.3257
467 3QP4 HL0 0.002169 0.40803 15.3846
468 2JBH 5GP 0.001427 0.46213 16
469 3U7Y FLC 0.02675 0.43141 16.1905
470 2WC1 FMN 0.008327 0.40051 16.4835
471 2BNE U5P 0.002444 0.4083 16.5975
472 4F4S EFO 0.01187 0.40162 17.1053
473 2HV8 GTP 0.0004688 0.41986 17.1875
474 1PTR PRB 0.02823 0.4087 20
475 1H2B NAJ 0.002252 0.4089 20.3343
476 3KO0 TFP 0.03505 0.40508 20.7921
477 1KDK DHT 0.0005251 0.41451 22.0339
478 1SS4 GSH 0.0004981 0.52816 22.8758
479 1SS4 CIT 0.02065 0.45869 22.8758
480 1GU3 BGC BGC BGC BGC BGC 0.005795 0.41471 24.8322
481 1J0D 5PA 0.0001787 0.43154 25.2199
482 3L6C MLI 0.00002566 0.5694 27.7286
483 1V7C HEY 0.00000003017 0.5547 29.6296
484 1GG6 APL 0.02005 0.40595 31.9588
Pocket No.: 2; Query (leader) PDB : 3PC3; Ligand: P1T; Similar sites found: 8
This union binding pocket(no: 2) in the query (biounit: 3pc3.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZM4 PLP 0.01951 0.4012 4.9217
2 4QYS PLP SEP 0.0001589 0.44882 8.59729
3 4QYS PLR 0.00361 0.43243 8.59729
4 4FC7 COA 0.01807 0.4037 9.74729
5 5EOO CIT 0.01818 0.40447 10.566
6 5IXJ THR 0.0001765 0.47877 12.1212
7 5B3A 0JO 0.0000000000001563 0.84567 24.6787
8 5I7A 68Q 0.000001624 0.54071 48.773
Feedback