Receptor
PDB id Resolution Class Description Source Keywords
1I1L 2.4 Å EC: 2.6.1.42 CRYSTAL STRUCTURE OF ESCHELICHIA COLI BRANCHED-CHAIN AMINO A AMINOTRANSFERASE. ESCHERICHIA COLI AMINOTRANSFERASE HEXAMER PLP 2-METHYLLEUCINE TRANSFERASE
Ref.: STRUCTURES OF ESCHERICHIA COLI BRANCHED-CHAIN AMINO AMINOTRANSFERASE AND ITS COMPLEXES WITH 4-METHYLVAL 2-METHYLLEUCINE: INDUCED FIT AND SUBSTRATE RECOGNIT THE ENZYME. BIOCHEMISTRY V. 40 7453 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP 2ML A:413;
B:913;
C:1413;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
374.33 n/a [P+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1IYE 1.82 Å EC: 2.6.1.42 CRYSTAL STRUCTURE OF ESCHELICHIA COLI BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE ESCHERICHIA COLI AMINOTRANSFERASE HEXAMER PLP
Ref.: CRYSTAL STRUCTURES OF BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE COMPLEXED WITH GLUTAMATE AND GLUTARATE: TRUE REACTION INTERMEDIATE AND DOUBLE SUBSTRATE RECOGNITION OF THE ENZYME. BIOCHEMISTRY V. 42 3725 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1I1L - PLP 2ML n/a n/a
2 1IYD - GUA C5 H8 O4 C(CC(=O)O)....
3 1I1M - 4MV C6 H12 O2 CC(C)CCC(=....
4 1IYE - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1I1L - PLP 2ML n/a n/a
2 1IYD - GUA C5 H8 O4 C(CC(=O)O)....
3 1I1M - 4MV C6 H12 O2 CC(C)CCC(=....
4 1IYE - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1I1L - PLP 2ML n/a n/a
2 1IYD - GUA C5 H8 O4 C(CC(=O)O)....
3 1I1M - 4MV C6 H12 O2 CC(C)CCC(=....
4 1IYE - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLP 2ML; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP 2ML 1 1
2 PLP 0A0 0.757143 0.964912
3 PLP SER 0.616438 0.928571
4 GLY PLP 0.611111 0.862069
5 PLP 2TL 0.592105 0.87931
6 LEU PLP 0.589744 0.964286
7 SER PLP 0.571429 0.864407
8 PLP BH2 0.564103 0.847458
9 PLP CYS 0.564103 0.864407
10 GLU PLP 0.5625 0.864407
11 SEP PLP 0.556962 0.894737
12 PLP SEP 0.556962 0.894737
13 ASP PLP 0.556962 0.894737
14 PLP ALO 0.531646 0.822581
15 MET PLP 0.52381 0.885246
16 PLP MET 0.52381 0.885246
17 PLP TYR 0.505747 0.864407
18 PLP 2KZ 0.487805 0.793651
19 PLP SUO 0.473684 0.761194
20 PLP PMP 0.45 0.819672
21 CAN PLP 0.449438 0.75
22 PLP HSA 0.445652 0.753846
23 GAB PLP 0.434783 0.78125
24 GBC PLP 0.434783 0.78125
25 TZA PLP 0.408163 0.784615
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1IYE; Ligand: PGU; Similar sites found: 632
This union binding pocket(no: 1) in the query (biounit: 1iye.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.002066 0.49303 None
2 1PTR PRB 0.002199 0.46595 None
3 1UO5 PIH 0.0178 0.45017 None
4 1LNX URI 0.009369 0.41895 None
5 2VKL MLT 0.04781 0.418 None
6 2E1A MSE 0.00855 0.41593 None
7 2BOS GLA GAL GLC NBU 0.03672 0.40287 None
8 6FIV 3TL 0.008858 0.40276 None
9 2BOS GLA GAL GLC 0.03866 0.40134 None
10 1Q11 TYE 0.001961 0.44874 0.970874
11 3BLI PYR 0.001941 0.46858 1.2945
12 4HA6 PXM 0.001448 0.46073 1.2945
13 1O9U ADZ 0.009182 0.44953 1.2945
14 3ICV NAG 0.02847 0.44021 1.2945
15 1NHZ 486 0.00237 0.40214 1.42857
16 2JAR UMP 0.003112 0.40854 1.5
17 1X92 M7P 0.003769 0.42158 1.50754
18 4G10 GSH 0.003616 0.41382 1.50943
19 1LYX PGA 0.00177 0.43003 1.6129
20 2F2U M77 0.0007118 0.45601 1.61812
21 4WVH ASP HIS ASP ALA HIS ALA 0.001177 0.45254 1.61812
22 1RQH PYR 0.01116 0.4317 1.61812
23 2Q97 ATP 0.002016 0.40449 1.61812
24 4JUI EGR 0.04334 0.40411 1.61812
25 4JOB TLA 0.02554 0.40275 1.61812
26 3MAG 3MA 0.003802 0.47855 1.62866
27 4Q0A 4OA 0.0009764 0.42664 1.65563
28 3MCT 3MC 0.001248 0.45733 1.6835
29 4P9Z NMI PTR 02K ASN NH2 0.01549 0.40933 1.7094
30 1J6W MET 0.02005 0.42373 1.71429
31 1CBF SAH 0.008276 0.40017 1.75439
32 1B55 4IP 0.004261 0.41517 1.77515
33 1A8S PPI 0.008819 0.40881 1.8315
34 3P7I P7I 0.04719 0.40114 1.86916
35 3R51 MMA 0.0004348 0.51893 1.875
36 1XX4 BAM 0.02265 0.40425 1.91571
37 4DD8 BAT 0.04638 0.40155 1.92308
38 3PMA SCR 0.01435 0.41079 1.9305
39 1V6A TRE 0.0001671 0.50312 1.94175
40 1Z44 NPO 0.003949 0.48773 1.94175
41 1NML CIT 0.001284 0.4568 1.94175
42 1Z42 FMN 0.001155 0.44216 1.94175
43 2HGS GSH 0.000869 0.44205 1.94175
44 1Z41 FMN 0.0007804 0.43906 1.94175
45 1Z44 FMN 0.001043 0.43896 1.94175
46 1Z48 FMN 0.000891 0.43688 1.94175
47 2Q8H TF4 0.0244 0.42716 1.94175
48 3WMX THR 0.01795 0.42449 1.94175
49 3TXO 07U 0.002572 0.42371 1.94175
50 1Z42 HBA 0.04785 0.42204 1.94175
51 4AMV F6R 0.002965 0.41709 1.94175
52 1YS4 NAP 0.001526 0.40852 1.94175
53 4DYO SD4 0.01812 0.40201 1.94175
54 4WB7 ATP 0.01157 0.40009 1.94175
55 2NW9 FT6 0.008757 0.42533 1.96078
56 3WCS MAN NAG 0.001328 0.45615 1.9685
57 3WCS MAN NAG GAL 0.001604 0.44148 1.9685
58 1XHL TNE 0.01701 0.41728 2.0202
59 3U40 ADN 0.02068 0.40505 2.06612
60 1VQ2 DDN 0.003953 0.40848 2.07254
61 2OFE NAG 0.005479 0.44039 2.11268
62 2OFD NGA 0.008891 0.43053 2.11268
63 3QPB URA 0.00639 0.45098 2.12766
64 1ZOS MTM 0.01878 0.40373 2.17391
65 2B7N NTM 0.02929 0.40142 2.1978
66 1ZUW DGL 0.005062 0.42563 2.20588
67 3GJB AKG 0.0005623 0.46616 2.26537
68 4C2G ALA ALA ALA ALA 0.001037 0.45487 2.26537
69 4CIB 7UZ 0.0022 0.45251 2.26537
70 4DXJ IPE 0.001762 0.4451 2.26537
71 1GSA GSH 0.000412 0.44011 2.26537
72 2PTZ PAH 0.0009786 0.43533 2.26537
73 3K5X P8D 0.004055 0.42487 2.26537
74 2VHJ ADP 0.0009314 0.4233 2.26537
75 1X8X TYR 0.004599 0.42261 2.26537
76 1CKM GTP 0.006091 0.42221 2.26537
77 2RCN GDP 0.004816 0.42178 2.26537
78 3S6T OAN 0.002168 0.41812 2.26537
79 3LST SAH 0.003657 0.41775 2.26537
80 2W1A TSA 0.008425 0.41175 2.26537
81 1E2S CSN 0.005987 0.4094 2.26537
82 1CKN GTP 0.01262 0.40873 2.26537
83 1GSA ADP 0.001526 0.40852 2.26537
84 5T0A A3P 0.009806 0.40693 2.26537
85 3PLN U5P 0.01783 0.40664 2.26537
86 3WBF NAP 0.0004129 0.40638 2.29508
87 1TO9 HMH 0.03751 0.40101 2.30769
88 3UDG TMP 0.006547 0.45725 2.32558
89 1HQL GLA MBG 0.0008619 0.48567 2.33463
90 1AUA BOG 0.008504 0.42079 2.36486
91 1U3I GSH 0.01121 0.42046 2.36967
92 3SBZ MLI 0.01863 0.43335 2.38095
93 3O03 GCO 0.02152 0.43005 2.4055
94 1B5E DCM 0.01154 0.41038 2.43902
95 4JP3 CIT 0.003811 0.42138 2.51046
96 4DVE BTN 0.0008696 0.45243 2.52525
97 1A5V Y3 0.009293 0.42416 2.53165
98 1ODJ GMP 0.01043 0.41952 2.55319
99 2Y6P CTP 0.004366 0.42354 2.5641
100 3RF4 FUN 0.004316 0.43373 2.58621
101 1RYI GOA 0.001525 0.51112 2.589
102 1DXY COI 0.001414 0.49213 2.589
103 1R37 ETX 0.002484 0.45648 2.589
104 1PFK ADP 0.0004183 0.44931 2.589
105 1KBJ FMN 0.0002314 0.42415 2.589
106 1I0Z OXM 0.02803 0.42397 2.589
107 1SJD NPG 0.0003115 0.42379 2.589
108 2R42 FPS 0.0009449 0.42308 2.589
109 2PP3 LGT 0.002921 0.42155 2.589
110 3DG6 MUC 0.003117 0.42046 2.589
111 3A2Q ACA ACA 0.00235 0.41682 2.589
112 2G36 TRP 0.01502 0.41468 2.589
113 3IB9 BTN 0.02999 0.41341 2.589
114 1DXY NAD 0.0004372 0.41214 2.589
115 4HVK PMP 0.01096 0.41133 2.589
116 3NKS ACJ 0.006981 0.40298 2.589
117 3DCM SAM 0.000936 0.42322 2.60417
118 1TUV VK3 0.04993 0.41059 2.63158
119 3QP6 HL6 0.008848 0.40278 2.64151
120 1JH7 UVC 0.003176 0.44529 2.6455
121 2BOI MFU 0.0001117 0.50322 2.65487
122 2FUE M1P 0.01003 0.42806 2.67176
123 4B4D FAD 0.001568 0.41168 2.67176
124 1Y1A GSH 0.006108 0.47809 2.73224
125 3I7S PYR 0.00005394 0.55459 2.73973
126 4INB 1F6 0.001995 0.41171 2.73973
127 2Q37 3AL 0.01121 0.42047 2.76243
128 1Q6O LG6 0.0003785 0.45096 2.77778
129 1GVF PGH 0.009052 0.4196 2.7972
130 3OZG SSI 0.003884 0.41264 2.8
131 1KDK DHT 0.000355 0.42965 2.82486
132 1VR0 3SL 0.006159 0.422 2.83401
133 3VPD BUA 0.000397 0.54587 2.84698
134 3VPD CIT 0.001612 0.49893 2.84698
135 3VPD ANP 0.00119 0.41577 2.84698
136 3LTW HLZ 0.007093 0.43513 2.85714
137 3O7B SAH 0.003399 0.40716 2.86885
138 4IF4 BEF 0.02996 0.40171 2.88462
139 2DWU DGL 0.003277 0.43365 2.89855
140 1YBH P22 0.00006686 0.49832 2.91262
141 1RZM E4P 0.0009528 0.48356 2.91262
142 1UOU CMU 0.0001045 0.47786 2.91262
143 3U1T MLI 0.002378 0.4643 2.91262
144 4WBD ADP 0.002656 0.46197 2.91262
145 2YIV YIV 0.006786 0.44896 2.91262
146 3MD0 GDP 0.001649 0.44632 2.91262
147 1WDA BAG 0.001723 0.44552 2.91262
148 3KVY URA 0.009272 0.44196 2.91262
149 4QVH FLC 0.04341 0.42898 2.91262
150 1RZM PEP 0.007873 0.42227 2.91262
151 1E5F PLP 0.002895 0.41748 2.91262
152 3ZUY TCH 0.006798 0.4156 2.91262
153 4UAL 3FV 0.002629 0.41502 2.91262
154 3UH0 TSB 0.0009719 0.4115 2.91262
155 2GJP MAL 0.03384 0.40713 2.91262
156 3QO8 SSA 0.005667 0.40642 2.91262
157 2YFT DQR 0.006261 0.40478 2.91262
158 2YIV NBN 0.04232 0.40332 2.91262
159 1IT7 GUN 0.03482 0.40069 2.91262
160 1SQ5 PAU 0.003863 0.43584 2.92208
161 1SQ5 ADP 0.004005 0.42052 2.92208
162 2IUW AKG 0.01377 0.40711 2.94118
163 1JN2 SFP 0.02634 0.4201 2.95359
164 1IS3 LAT 0.007594 0.43983 2.96296
165 2F7C CCU 0.003831 0.44161 3.00429
166 2YCD GTB 0.006684 0.4116 3.04348
167 1EB9 HBA 0.004805 0.41735 3.05344
168 1D1Q 4NP 0.03817 0.40682 3.10559
169 5YAS FAC 0.003642 0.42679 3.11284
170 1QD0 RR6 0.006469 0.41217 3.125
171 4DSU BZI 0.02901 0.41262 3.1746
172 3JQM GTP 0.002245 0.44063 3.18471
173 1QDS PGA 0.001829 0.43913 3.18725
174 1TRD PGH 0.002798 0.42676 3.2
175 1YAG ATP 0.001559 0.40481 3.2
176 1ZJ6 G3D 0.004197 0.41971 3.20856
177 4JWX 1N4 0.001493 0.45393 3.21429
178 3TKA CTN 0.004772 0.48779 3.23625
179 2IZ1 ATR 0.001184 0.47153 3.23625
180 2BO4 FLC 0.00243 0.46385 3.23625
181 2Q8M AMP 0.002869 0.42632 3.23625
182 4C6F DOR 0.004198 0.42425 3.23625
183 4C6F NCD 0.004198 0.42425 3.23625
184 2OWZ CIT 0.0121 0.42424 3.23625
185 1A59 COA 0.001516 0.41977 3.23625
186 2CUN 3PG 0.03452 0.4191 3.23625
187 4M2K PLP 0.008072 0.417 3.23625
188 3CQ5 PMP 0.008635 0.41575 3.23625
189 3GTD MLI 0.01476 0.41502 3.23625
190 2PT9 S4M 0.0005331 0.41289 3.23625
191 1WVG CXY 0.001254 0.41137 3.23625
192 1A59 CIT 0.03018 0.41057 3.23625
193 1Z4V DAN 0.007996 0.40847 3.23625
194 3TKA SAM 0.003348 0.40041 3.23625
195 2HVW DCP 0.003432 0.41883 3.26087
196 2HVW DDN 0.007006 0.40674 3.26087
197 1SS4 CIT 0.0001323 0.56613 3.26797
198 1SS4 GSH 0.0008695 0.53344 3.26797
199 2X2T GAL NGA 0.000799 0.5051 3.26797
200 1OIK AKG 0.006521 0.43684 3.32226
201 2VDJ HSE 0.0309 0.4156 3.32226
202 2CW6 3HG 0.003676 0.4704 3.3557
203 4NTX AMR 0.0256 0.40185 3.36134
204 3H22 B53 0.006985 0.41511 3.367
205 3LGS ADE 0.0242 0.41802 3.37079
206 3LGS SAH 0.0232 0.40608 3.37079
207 4U9W COA 0.003839 0.40348 3.38164
208 3W8S GSH 0.00287 0.44729 3.39806
209 4N7C AEF 0.0416 0.40369 3.40909
210 1F5F DHT 0.002977 0.41303 3.41463
211 3UEC ALA ARG TPO LYS 0.006768 0.44226 3.42466
212 2OI2 DP6 0.00513 0.41621 3.42466
213 2DUA OXL 0.003571 0.40284 3.44828
214 5RHN 8BR 0.002431 0.42036 3.47826
215 4FK7 P34 0.01479 0.43289 3.49345
216 4BT5 23B 0.0187 0.40141 3.50195
217 2WGC SIA GAL BGC 0.03964 0.43002 3.50877
218 1NJR XYL 0.0002596 0.41557 3.52113
219 3UCJ AZM 0.0005259 0.46739 3.52423
220 1UJ5 5RP 0.003943 0.42079 3.52423
221 1G0V NAG 0.001593 0.50934 3.55987
222 3ZPG 5GP 0.0009014 0.50236 3.55987
223 3SIX GDP 0.0002655 0.4677 3.55987
224 4O8A 2OP 0.006519 0.45735 3.55987
225 1WTC ACP 0.004654 0.45016 3.55987
226 1ZGA SAH 0.000828 0.44287 3.55987
227 1ZED PNP 0.01043 0.43313 3.55987
228 3TFC PEP 0.005012 0.43088 3.55987
229 3MTW M3R 0.001512 0.42818 3.55987
230 1A5Z OXM 0.02991 0.41632 3.55987
231 1ZGA HMK 0.005767 0.41417 3.55987
232 1FBL HTA 0.008507 0.41157 3.55987
233 2NVK NAP 0.01902 0.4054 3.55987
234 3PC3 P1T 0.002503 0.40473 3.55987
235 2WE5 ADP 0.007946 0.4046 3.55987
236 3AB3 GDP 0.04545 0.40179 3.65854
237 1T8U A3P 0.003616 0.40265 3.67647
238 2QLX RM4 0.008194 0.43822 3.7037
239 1FW1 GSH 0.003056 0.42079 3.7037
240 3GX0 GDS 0.004177 0.40045 3.72093
241 1UW1 ADP 0.01429 0.41566 3.75
242 4IMG NGF 0.0006049 0.42987 3.75427
243 2YD6 FLC 0.004495 0.4916 3.77358
244 3RGG AIR 0.001359 0.44444 3.77358
245 4WX0 HXD 0.006366 0.4045 3.80228
246 3ACC 5GP 0.001877 0.44394 3.8674
247 1QPR PHT 0.0222 0.42 3.87324
248 2Q3M MLA 0.02425 0.4273 3.8835
249 1OFL NGK GCD 0.01715 0.42701 3.8835
250 2PUL ACP 0.001787 0.42543 3.8835
251 2EJU SAH 0.001273 0.4225 3.8835
252 1Z45 GAL 0.008523 0.42075 3.8835
253 3NFZ 3NF 0.004154 0.41989 3.8835
254 1I0B PEL 0.006656 0.41876 3.8835
255 4KCF FMN 0.003114 0.41628 3.8835
256 1YOE RIB 0.009937 0.41315 3.8835
257 1I1Q TRP 0.01183 0.40992 3.8835
258 1Z45 UPG 0.003413 0.4071 3.8835
259 3W54 RNB 0.007208 0.40626 3.8835
260 2CE7 ADP 0.009018 0.40246 3.8835
261 1EYE PMM 0.003874 0.4211 3.92857
262 2CJZ PTR 0.008462 0.44119 3.93443
263 1UF5 CDT 0.01484 0.40156 3.9604
264 1W7J ADP BEF 0.001469 0.42435 3.97351
265 4B9E FAH 0.001922 0.46879 3.98671
266 3FZG SAM 0.01979 0.40264 4
267 2HJ3 FAD 0.003121 0.40145 4
268 1KYQ NAD 0.00121 0.42329 4.0146
269 3GD8 BOG 0.02077 0.42438 4.03587
270 1NU4 MLA 0.0006955 0.53089 4.12371
271 1UAY ADN 0.002146 0.42677 4.13223
272 1C3X 8IG 0.002223 0.48107 4.13534
273 4A6F SEP 0.01474 0.44631 4.16667
274 4C1K PEP 0.005257 0.42997 4.19847
275 4M5P MLA 0.00214 0.49219 4.20712
276 1PDZ PGA 0.0009412 0.49216 4.20712
277 1YHM AHD 0.001549 0.4594 4.20712
278 4M5P 23W 0.02156 0.42356 4.20712
279 1QZZ SAM 0.002686 0.42297 4.20712
280 4M5P FMN 0.001173 0.41598 4.20712
281 2DVZ GLU 0.006923 0.41527 4.20712
282 1MOQ GLP 0.002551 0.41165 4.20712
283 2NCD ADP 0.01975 0.40926 4.20712
284 4BG1 IVL 0.003345 0.40042 4.20712
285 4BG1 OGA 0.003345 0.40042 4.20712
286 3PNL ADP 0.001892 0.40541 4.2654
287 2AZ3 CDP 0.00741 0.42342 4.26829
288 4Q3F TLA 0.01716 0.40966 4.2735
289 1II5 GLU 0.001505 0.45997 4.29185
290 3BHO B4P 0.008155 0.46041 4.32692
291 4LXH C1E 0.0002711 0.45142 4.33213
292 1NF8 BOG 0.01832 0.42119 4.34783
293 4DA6 GA2 0.01226 0.41611 4.34783
294 1NF8 ISC 0.008286 0.40785 4.34783
295 2VPR TDC 0.006635 0.40382 4.34783
296 2HK9 ATR 0.02758 0.40589 4.36364
297 1MXI SAH 0.004247 0.40368 4.375
298 2VQ5 HBA 0.004471 0.451 4.47761
299 1S8F GDP 0.0003594 0.41473 4.51977
300 1FDJ G3P 0.002828 0.49751 4.53074
301 2W8Q SIN 0.00286 0.46041 4.53074
302 1FDJ 13P 0.002589 0.44931 4.53074
303 3JDW ORN 0.0006959 0.44094 4.53074
304 1FDJ 2FP 0.001733 0.43509 4.53074
305 3BK2 U5P 0.002764 0.42698 4.53074
306 2HXT EHM 0.002406 0.42483 4.53074
307 1V1A KDG 0.001333 0.41595 4.53074
308 1FP1 SAH 0.00375 0.41322 4.53074
309 3ZGE ASP 0.03468 0.41303 4.53074
310 3FED BIX 0.003346 0.41116 4.53074
311 2PYU IMP 0.01025 0.42222 4.56621
312 2WK1 SAH 0.0004673 0.42964 4.60993
313 4R3L COA 0.003684 0.41154 4.62428
314 3NGU ADP 0.006438 0.40817 4.63576
315 2O1C PPV 0.01389 0.45688 4.66667
316 1Z34 2FD 0.01232 0.41979 4.68085
317 1XX6 ADP 0.001935 0.43811 4.71204
318 1VHW ADN 0.01155 0.4252 4.74308
319 2Z9V PXM 0.0006789 0.46892 4.85437
320 3HZL 6PC 0.01148 0.44444 4.85437
321 3JQ3 ADP 0.001629 0.44119 4.85437
322 1PEA ACM 0.01103 0.4383 4.85437
323 4CCO OGA 0.009037 0.41963 4.85437
324 3A1I UNU 0.01781 0.41561 4.85437
325 3EUF BAU 0.01356 0.41398 4.85437
326 1F1V DHY 0.01098 0.41129 4.85437
327 1P1M MET 0.001523 0.40855 4.85437
328 1ECC PCP 0.00183 0.40255 4.85437
329 2VWT PYR 0.00144 0.47487 4.86891
330 1WRA PC 0.005198 0.44782 4.87013
331 3E81 SLB 0.01236 0.41853 4.87805
332 4KGM ATP 0.01039 0.4039 4.89796
333 2P69 PLP 0.002158 0.45289 4.90196
334 3F81 STT 0.0001142 0.54931 4.91803
335 1XE7 GUN 0.01594 0.43692 4.92611
336 1EYQ NAR 0.007966 0.41724 4.95496
337 2ZJF BSU 0.006159 0.41737 4.97238
338 1KYV RBF 0.002795 0.41404 5.03145
339 2HW1 ANP 0.0003004 0.4362 5.03356
340 2HW1 FRU 0.01895 0.41008 5.03356
341 1QB7 ADE 0.005658 0.41889 5.08475
342 3CH5 GDP 0.003112 0.42491 5.09259
343 2F59 INI 0.001731 0.4177 5.09554
344 3KJI ADP 0.001803 0.42528 5.11811
345 5D63 FUC GLA GLA 0.0003353 0.49715 5.11945
346 5D63 FUC GAL GLA 0.0007028 0.46205 5.11945
347 3CBG FER 0.004915 0.46378 5.17241
348 3CBG 4FE 0.01226 0.45069 5.17241
349 3CBG SAH 0.002138 0.41834 5.17241
350 4OB6 S2T 0.0003594 0.45181 5.17799
351 4E3Q PMP 0.01729 0.44248 5.17799
352 3DDN HPV 0.005485 0.43455 5.17799
353 2GWD GLU 0.00416 0.42925 5.17799
354 3I8P 840 0.001746 0.42581 5.17799
355 4P4T GDP 0.002313 0.41318 5.17799
356 2O66 FLC 0.002628 0.44902 5.18518
357 3I51 45C 0.01063 0.40351 5.18518
358 2PNZ 5GP 0.006782 0.42022 5.22088
359 3B8I OXL 0.03963 0.40701 5.22648
360 1Y8O ADP 0.009616 0.40937 5.2506
361 4LO6 SIA GAL 0.02226 0.41988 5.26316
362 3UBW 6SP 0.005206 0.49094 5.36398
363 2PWY SAH 0.0002223 0.43236 5.42636
364 4FGC PQ0 0.02898 0.40164 5.45455
365 3E5P PPI 0.02519 0.44921 5.50162
366 1Y4Z PCI 0.02288 0.41647 5.50162
367 3AYS CT3 0.008322 0.41197 5.50162
368 1Y13 BIO 0.006123 0.41748 5.52486
369 1T3D CYS 0.003365 0.45699 5.53633
370 1A27 EST 0.004247 0.41117 5.53633
371 1QO0 BMD 0.03422 0.41006 5.61225
372 2EB5 OXL 0.003778 0.44795 5.61798
373 1Y2W NAG 0.0079 0.43293 5.6338
374 1R18 SAH 0.0004276 0.42695 5.72687
375 4KSY 1SY 0.002029 0.4425 5.78512
376 4N7U 2JA 0.006318 0.45806 5.78947
377 2ZE3 AKG 0.002464 0.45028 5.81818
378 1XVA SAM 0.00227 0.40974 5.82192
379 1RYD GLC 0.001191 0.47141 5.82524
380 2Q09 DI6 0.006944 0.41978 5.82524
381 3K3G MMU 0.01042 0.41936 5.82524
382 1NOW IFG 0.01801 0.41108 5.82524
383 1O0S NAI 0.002052 0.40093 5.82524
384 1YFZ IMP 0.02204 0.40708 5.85366
385 2HNK SAH 0.001805 0.41323 5.85774
386 2P41 G1G 0.005567 0.42387 5.90164
387 3ZF8 GDP 0.006904 0.41532 5.90164
388 1UCN ADP 0.009213 0.40209 5.92105
389 1UZN NAP 0.006555 0.40402 6.07287
390 4COQ SAN 0.03457 0.40269 6.07287
391 1G8S MET 0.006484 0.43696 6.08696
392 2BZ1 TAU 0.002846 0.49587 6.12245
393 3IHB TRS 0.00001566 0.62848 6.14887
394 4NAO AKG 0.001369 0.47592 6.14887
395 2FGQ MLT 0.00134 0.46903 6.14887
396 1GJW GLC 0.002974 0.4596 6.14887
397 3IHB GLU 0.003456 0.45643 6.14887
398 3P3N AKG 0.008948 0.4304 6.14887
399 1VMK GUN 0.01591 0.43018 6.14887
400 1H2M OGA 0.01004 0.42805 6.14887
401 1H2K OGA 0.0111 0.426 6.14887
402 2XUM OGA 0.01279 0.42311 6.14887
403 2X1E X1E 0.0181 0.42299 6.14887
404 2R5T ANP 0.0007685 0.42226 6.14887
405 2Y0I AKG 0.01122 0.42044 6.14887
406 1PX8 XYP 0.01188 0.41932 6.14887
407 3IB1 IMN 0.03288 0.40965 6.14887
408 4EXO PYR 0.002345 0.47221 6.16438
409 1NX4 AKG 0.0103 0.42213 6.22711
410 2OHV NHL 0.005575 0.42384 6.43939
411 1V7R CIT 0.00206 0.4931 6.45161
412 2IYG FMN 0.002506 0.42868 6.45161
413 1P9B HDA 0.0009899 0.4682 6.47249
414 1E4E PHY 0.0003079 0.45435 6.47249
415 1T10 F6P 0.00354 0.44316 6.47249
416 3BJE URA 0.01277 0.4344 6.47249
417 2HFK E4H 0.008398 0.42103 6.47249
418 2NZ2 ASP 0.01371 0.41167 6.47249
419 4J7H TLO 0.002772 0.40321 6.47249
420 1P9B GDP 0.006444 0.40064 6.47249
421 1F74 NAY 0.001302 0.43064 6.48464
422 3RKR NAP 0.003249 0.42883 6.48855
423 3BL6 FMC 0.002505 0.41193 6.52174
424 1YRX FMN 0.002581 0.42365 6.61157
425 3LM9 ADP 0.006081 0.41324 6.62252
426 4RPM HXC 0.02802 0.43877 6.65025
427 3NCQ ATP 0.003088 0.40161 6.72269
428 3L24 GOA 0.004379 0.46641 6.79612
429 4ME6 ADP 0.002196 0.45255 6.79612
430 4HZO COA 0.002349 0.44531 6.79612
431 1VBH PEP 0.004346 0.43913 6.79612
432 3WKX FUB 0.01572 0.41888 6.79612
433 1R5A GTS 0.003204 0.43407 6.88073
434 4BI7 PGA 0.001677 0.44602 7.00389
435 2OYS FMN 0.001216 0.41545 7.02479
436 3SCH TB6 0.005374 0.44078 7.07071
437 1ZZ7 S0H 0.01968 0.40474 7.07071
438 1AX2 NDG GAL 0.00005327 0.5173 7.11297
439 1SOW OXL 0.005525 0.46112 7.11974
440 3QV9 QV7 0.004103 0.44026 7.11974
441 3IB8 AMP 0.001123 0.43772 7.11974
442 1GPJ CIT 0.006816 0.43594 7.11974
443 1P72 THM 0.0181 0.40635 7.11974
444 3HQP FDP 0.03045 0.40368 7.11974
445 3PNA CMP 0.001425 0.44901 7.14286
446 3K56 IS3 0.002448 0.42454 7.14286
447 3QP4 HL0 0.003104 0.41634 7.14286
448 4JHG ZEA 0.006482 0.4042 7.14286
449 1JGS SAL 0.0001027 0.5784 7.24638
450 3ZS7 ATP 0.0004421 0.42647 7.33333
451 1H8P PC 0.004105 0.46788 7.33945
452 2ZWS PLM 0.0109 0.46242 7.44337
453 1TUF AZ1 0.0003319 0.42292 7.44337
454 3A8U PLP 0.01275 0.41792 7.44337
455 4LIT AKG 0.01877 0.41027 7.44337
456 2QJN KDG 0.007064 0.4066 7.44337
457 1Y7I SAL 0.00116 0.45872 7.46269
458 1B74 DGN 0.007097 0.44798 7.48031
459 3UIE ANP 0.00414 0.42449 7.5
460 2NZU BG6 0.01174 0.41464 7.5
461 3UIE ADX 0.00564 0.41042 7.5
462 2ZJ3 G6P 0.002323 0.40939 7.73333
463 1H16 PYR 0.006215 0.45089 7.76699
464 4IKZ AFS 0.02987 0.43065 7.76699
465 1FP2 HMO 0.002596 0.41928 7.76699
466 2I4O ATP 0.006609 0.41611 7.76699
467 1FP2 SAH 0.007144 0.40641 7.76699
468 1LTH FBP 0.02991 0.40568 7.76699
469 3CL5 SIO 0.03836 0.40543 7.76699
470 3KYF 5GP 5GP 0.004733 0.4221 7.79221
471 1Y9Q MED 0.0226 0.41144 7.8125
472 1T0I FMN 0.002222 0.4138 7.8534
473 2IMF TOM 0.001729 0.40011 7.88177
474 2IMF GSH 0.001729 0.40011 7.88177
475 4AF5 CIT 0.02504 0.40934 7.89474
476 4F4S EFO 0.01655 0.40806 7.89474
477 2JFV FLC 0.003485 0.44959 7.90378
478 3RK0 AMP 0.006333 0.41254 8.01688
479 3SHR CMP 0.002244 0.43546 8.09062
480 2Q28 ADP 0.0004224 0.43533 8.09062
481 4EPL JAI 0.003582 0.41398 8.09062
482 1C7R PA5 0.007803 0.41313 8.09062
483 2J0W ASP 0.001226 0.47825 8.24053
484 1ECM TSA 0.001938 0.44335 8.25688
485 1UUY PPI 0.008931 0.45017 8.38323
486 3KMT SAH 0.003345 0.41926 8.40336
487 1KTC NGA 0.001284 0.45679 8.41424
488 2C5S AMP 0.001166 0.45272 8.41424
489 4AIG FLX 0.005566 0.41919 8.45771
490 2QGI UDP 0.007761 0.42771 8.46774
491 2Q1A 2KT 0.001492 0.46684 8.53242
492 3F8C HT1 0.01023 0.42226 8.73016
493 2XDQ MGX 0.01689 0.4356 8.73786
494 1JIL 485 0.001891 0.41252 8.73786
495 2P4S DIH 0.02304 0.40622 8.73786
496 3EW2 BTN 0.009651 0.41369 8.88889
497 1DL7 NCH 0.03332 0.43441 8.92857
498 3N5O GSH 0.004676 0.40217 8.93617
499 1Y7P RIP 0.009477 0.44164 8.96861
500 2DTJ THR 0.0001401 0.48509 8.98876
501 2XRH NIO 0.001722 0.4711 9
502 4KCT PYR 0.001362 0.44985 9.06149
503 4NES UDP 0.000682 0.43664 9.06149
504 4NES UD1 0.003516 0.40663 9.06149
505 4G05 JZ3 0.04599 0.4051 9.06149
506 4NPT 017 0.001849 0.43893 9.09091
507 3A2Y TS5 0.003578 0.41008 9.13706
508 1V2X SAM 0.0007622 0.42635 9.27835
509 2WCV FUC 0.0001521 0.49025 9.28571
510 3W2W ATP 0.002574 0.42821 9.38511
511 1YOA FMN 0.008742 0.46794 9.43396
512 1BTN I3P 0.02827 0.44269 9.43396
513 1YOA FAD 0.002485 0.40146 9.43396
514 2PVQ GSH 0.005597 0.4029 9.45274
515 2QCX PF1 0.003917 0.44117 9.5057
516 1SC3 MLI 0.01439 0.43247 9.55056
517 1KC7 PPR 0.0006937 0.49023 9.70874
518 9LDB OXM 0.004434 0.4749 9.70874
519 9LDT OXM 0.004461 0.47475 9.70874
520 2VAR ANP 0.00006509 0.45889 9.70874
521 2VAR KDG 0.0005613 0.45469 9.70874
522 2VAR KDF 0.0007039 0.45076 9.70874
523 2VAR AMP 0.001171 0.44711 9.70874
524 3BRE C2E 0.01877 0.41525 9.70874
525 1CZA G6P 0.01881 0.4144 9.70874
526 2RHQ GAX 0.002597 0.40082 9.70874
527 2WZ5 MET 0.02961 0.41494 9.80392
528 3BY8 MLT 0.004588 0.45046 9.85915
529 2WOR 2AN 0.03137 0.4047 10
530 4ORR PE3 0.001301 0.40084 10
531 4RJK PYR 0.0018 0.50726 10.0324
532 2R00 OEG 0.005943 0.445 10.0324
533 1Y42 TYR 0.004706 0.43208 10.0324
534 5EQU AKG 0.03151 0.41516 10.1639
535 4PO2 ASN ARG LEU LEU LEU THR GLY 0.002622 0.40068 10.2128
536 2FR6 URI 0.002965 0.4093 10.274
537 2C4I BTN 0.002363 0.42083 10.3321
538 3SQG COM 0.006815 0.46468 10.356
539 2H6T IVA VAL VAL STA ALA STA 0.0002881 0.45044 10.356
540 3SQG TP7 0.003942 0.4124 10.356
541 4LFL TG6 0.001176 0.44703 10.4651
542 1JAC AMG 0.006353 0.46635 10.5263
543 4UOH ADP 0.001824 0.44446 10.596
544 1ULE GLA GAL NAG 0.006507 0.44988 10.6667
545 4W6Z ETF 0.012 0.44342 10.6796
546 2O2C G6Q 0.001155 0.43261 10.6796
547 2Z9C FMN 0.003969 0.40123 11
548 3I6B KDO 0.002481 0.44427 11.1111
549 4K30 NLG 0.0122 0.4139 11.25
550 3IWD M2T 0.0139 0.4275 11.2903
551 3GM5 CIT 0.005291 0.4411 11.3208
552 4M51 BEZ 0.01068 0.43902 11.3269
553 4AQL TXC 0.004195 0.40753 11.3269
554 2Y7G AAE 0.0004865 0.44683 11.3475
555 3CEV ARG 0.001192 0.4523 11.3712
556 4CCN OGA 0.01055 0.42704 11.4286
557 2JBH 5GP 0.0008399 0.45876 11.5556
558 5FIT AP2 0.004976 0.41674 11.5646
559 1O0D 163 0.0003156 0.44898 11.583
560 2FEQ 34P 0.0004646 0.44279 11.583
561 2A2X NA9 0.0004164 0.43994 11.7647
562 3WUD GLC GAL 0.01892 0.42644 11.7647
563 2FPU HSO 0.001023 0.48206 11.9318
564 4LHM AZZ 0.01434 0.4156 11.9741
565 2QV7 ADP 0.005629 0.40653 11.9741
566 1OGD RIP 0.001228 0.45765 12.2137
567 3HB5 E2B 0.0006028 0.41467 12.2324
568 2D5X L35 0.01561 0.41392 12.3288
569 1M1B SPV 0.004207 0.43976 12.5424
570 3CF6 SP1 0.004042 0.41199 12.5749
571 3QDV A2G 0.005969 0.45936 12.5874
572 3QDV NDG 0.003054 0.45903 12.5874
573 3QDW A2G 0.009771 0.44812 12.5874
574 3QDY CBS 0.006935 0.44174 12.5874
575 3QDX A2G GAL 0.01023 0.43996 12.5874
576 3QDY A2G GAL 0.01133 0.43772 12.5874
577 3QDX CBS 0.008549 0.43732 12.5874
578 3QDT A2G GAL 0.01361 0.43369 12.5874
579 3QDW NDG 0.01055 0.43287 12.5874
580 2YLD CMO 0.006137 0.43808 12.5984
581 2ZJ5 ADP 0.005796 0.43346 12.6214
582 1Y75 NAG 0.002087 0.44198 12.7119
583 4F2Q QUS 0.00494 0.41266 12.7907
584 4K7O EKZ 0.01468 0.42589 13.0952
585 2BES RES 0.00763 0.40929 13.3721
586 1C3V PDC 0.003295 0.44457 13.4694
587 4IHQ ADP 0.008639 0.41574 13.5922
588 1TH8 ADP 0.002215 0.43569 13.7931
589 3ZLM ANP 0.0009082 0.42777 13.8298
590 2FH5 GTP 0.00219 0.41029 14.0187
591 4A3X LAT 0.001071 0.49844 14.0969
592 2ALG HP6 0.000404 0.4318 14.1304
593 2ALG DAO 0.000404 0.4318 14.1304
594 4IVG ANP 0.002042 0.40099 14.2395
595 1WHT BZS 0.002012 0.46076 14.3791
596 3S9K CIT 0.001111 0.51318 14.4068
597 3I0O SMI 0.006644 0.43077 14.8867
598 3I0O ADP 0.004173 0.42435 14.8867
599 2RI1 GLP 0.02548 0.41536 14.8936
600 2D0V PQQ 0.001922 0.41228 15.2778
601 1NXJ TLA 0.003033 0.4147 15.3005
602 1NXJ GLV 0.01553 0.40487 15.3005
603 3E4O SIN 0.001209 0.46427 15.4098
604 1QH9 LAC 0.009254 0.42971 15.5172
605 1EJE FMN 0.004619 0.40237 15.625
606 3O2K DST 0.004606 0.43249 15.8576
607 3O2K QRP 0.01488 0.40152 15.8576
608 1C1L GAL BGC 0.0005321 0.49581 16.0584
609 4G4S LDZ 0.003538 0.41026 17.0732
610 1NME 159 0.01073 0.44597 17.1233
611 1I2L DCS 0.00000006757 0.6367 17.4721
612 3DER ALA LYS 0.0002102 0.44594 17.7994
613 1L1Q 9DA 0.003528 0.40302 18.2796
614 2EFJ 37T 0.001083 0.46004 18.4466
615 2EFJ SAH 0.004223 0.40742 18.4466
616 2XI7 XI7 0.002722 0.49699 18.4783
617 1T0S BML 0.00502 0.45556 18.6047
618 4B16 NAG 0.001549 0.49987 19.1729
619 4F8L GAL 0.005973 0.47743 20
620 3E6J DR2 0.03373 0.42297 20.0873
621 3VPQ GSH 0.002488 0.4501 20.5882
622 2V5E SCR 0.002596 0.48761 21.7822
623 2HV8 GTP 0.001634 0.4009 21.875
624 1NP0 NGT 0.00276 0.45434 24.1379
625 2PR5 FMN 0.002546 0.41168 24.2424
626 1KHT AMP 0.002466 0.43891 26.5625
627 1IR1 CAP 0.002271 0.40973 26.8293
628 3SJ0 DXC 0.0209 0.4184 28.169
629 3KPE TM3 0.01591 0.41864 28.2051
630 5K3W PLP 0.04227 0.41147 32.9073
631 4B7E OGA 0.01255 0.41823 47.0588
632 3DAA PDD 0.00000000001909 0.78391 49.8195
Pocket No.: 2; Query (leader) PDB : 1IYE; Ligand: PGU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1iye.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1IYE; Ligand: PGU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1iye.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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