Receptor
PDB id Resolution Class Description Source Keywords
2DTJ 1.58 Å EC: 2.7.2.4 CRYSTAL STRUCTURE OF REGULATORY SUBUNIT OF ASPARTATE KINASE FROM CORYNEBACTERIUM GLUTAMICUM CORYNEBACTERIUM GLUTAMICUM PROTEIN-LIGAND COMPLEX REGULATORY SUBUNIT TRANSFERASE
Ref.: STRUCTURAL INSIGHT INTO CONCERTED INHIBITION OF ALPHA(2)BETA(2)-TYPE ASPARTATE KINASE FROM CORYNEBACTERIUM GLUTAMICUM J.MOL.BIOL. V. 368 521 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT B:501;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
THR A:401;
B:402;
Valid;
Valid;
none;
none;
submit data
119.119 C4 H9 N O3 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2DTJ 1.58 Å EC: 2.7.2.4 CRYSTAL STRUCTURE OF REGULATORY SUBUNIT OF ASPARTATE KINASE FROM CORYNEBACTERIUM GLUTAMICUM CORYNEBACTERIUM GLUTAMICUM PROTEIN-LIGAND COMPLEX REGULATORY SUBUNIT TRANSFERASE
Ref.: STRUCTURAL INSIGHT INTO CONCERTED INHIBITION OF ALPHA(2)BETA(2)-TYPE ASPARTATE KINASE FROM CORYNEBACTERIUM GLUTAMICUM J.MOL.BIOL. V. 368 521 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2DTJ - THR C4 H9 N O3 C[C@H]([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2DTJ - THR C4 H9 N O3 C[C@H]([C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4GO7 - THR C4 H9 N O3 C[C@H]([C@....
2 2DT9 - THR C4 H9 N O3 C[C@H]([C@....
3 2DTJ - THR C4 H9 N O3 C[C@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: THR; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 THR 1 1
2 VAL 0.65 0.714286
3 DAL 0.578947 0.789474
4 ALA 0.578947 0.789474
5 VAH 0.541667 0.76
6 ILE 0.541667 0.6
7 HGY 0.526316 0.625
8 AHB 0.5 0.6
9 ABA 0.434783 0.625
10 DBB 0.434783 0.625
11 LFC 0.407407 0.619048
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2DTJ; Ligand: THR; Similar sites found: 677
This union binding pocket(no: 1) in the query (biounit: 2dtj.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ALG DAO 0.00005405 0.48487 None
2 1UO5 PIH 0.001314 0.4844 None
3 1UO4 PIH 0.0007944 0.48414 None
4 3BY8 MLT 0.000267 0.47686 None
5 2E1A MSE 0.0001297 0.45849 None
6 3UEC ALA ARG TPO LYS 0.0007629 0.45659 None
7 3Q3C NAD 0.002313 0.45574 None
8 3QDY CBS 0.001804 0.43997 None
9 4I9A NCN 0.001624 0.43842 None
10 2WCV FUC 0.0002001 0.43801 None
11 3QDT A2G GAL 0.003405 0.43501 None
12 1MQ0 BRD 0.0001204 0.43497 None
13 1RYA GDP 0.005434 0.43492 None
14 3QDY A2G GAL 0.003512 0.43438 None
15 2I8T GDD 0.005676 0.43397 None
16 4IS0 1R4 0.001424 0.43092 None
17 4DN8 BMA 0.002156 0.42952 None
18 2GQS ADP 0.004232 0.42578 None
19 2GQR ADP 0.004954 0.42252 None
20 1OBD ATP 0.004168 0.4215 None
21 3KMT SAH 0.0047 0.42139 None
22 2BOI MFU 0.001779 0.42042 None
23 4DVE BTN 0.0009633 0.41937 None
24 1H8G CHT 0.02184 0.41923 None
25 1UWZ THU 0.001616 0.41853 None
26 3R35 4CO 0.005803 0.41844 None
27 3SJ0 DXC 0.006094 0.41644 None
28 4NC7 I3C 0.008086 0.41096 None
29 1Y7P RIP 0.0113 0.41082 None
30 3N5O GSH 0.003923 0.40796 None
31 4C1K PEP 0.0009563 0.40727 None
32 1ULE GLA GAL NAG 0.01358 0.40711 None
33 2ALG HP6 0.01502 0.40678 None
34 4O1M NAD 0.02565 0.40634 None
35 3KPE TM3 0.008619 0.40373 None
36 1DUC DUD 0.006821 0.40139 None
37 2P8O BVA 0.0004554 0.40004 None
38 3TKA CTN 0.005019 0.44914 1.1236
39 4TMK T5A 0.01789 0.44081 1.1236
40 3U1T MLI 0.001946 0.43851 1.1236
41 1Y9Q MED 0.004547 0.41564 1.1236
42 4NVP 7CH 0.01348 0.40782 1.1236
43 1NX4 AKG 0.0007135 0.40272 1.1236
44 1O6B ADP 0.01947 0.40946 1.18343
45 4FGC PQ0 0.0006006 0.40691 1.21212
46 4INB 1F6 0.003551 0.41158 1.36986
47 3TMK T5A 0.01104 0.42496 1.38889
48 1T57 FMN 0.003715 0.41444 1.45631
49 2F01 BTQ 0.002158 0.46532 1.5748
50 2YLD CMO 0.003338 0.42139 1.5748
51 2F01 BTN 0.02774 0.41507 1.5748
52 3U5S FAD 0.002688 0.4182 1.5873
53 1R37 NAD 0.0002023 0.4829 1.68539
54 3F81 STT 0.0006834 0.47682 1.68539
55 1A8R GTP 0.0006437 0.44055 1.68539
56 1QDS PGA 0.0003727 0.43471 1.68539
57 1Z45 NAD 0.01291 0.42152 1.68539
58 1F5F DHT 0.0001076 0.41966 1.68539
59 2JFV FLC 0.004493 0.41586 1.68539
60 4BMO FMN 0.005468 0.41259 1.68539
61 1L1Q 9DA 0.003692 0.41092 1.68539
62 2V2V V12 0.04835 0.40289 1.68539
63 3LM9 FRU 0.00892 0.40252 1.68539
64 3RK0 AMP 0.001854 0.4008 1.68539
65 1RZM E4P 0.001978 0.43819 1.77515
66 1RZM PEP 0.0006793 0.43707 1.77515
67 2VBQ BSJ 0.0002849 0.47671 1.81818
68 3FPZ AHZ 0.001394 0.48099 2.24719
69 3K5X P8D 0.0001667 0.4477 2.24719
70 3BW2 FMN 0.001437 0.44205 2.24719
71 1R18 SAH 0.0007583 0.44175 2.24719
72 2BO4 FLC 0.002438 0.43415 2.24719
73 1KTC NGA 0.00147 0.42373 2.24719
74 1Q11 TYE 0.001598 0.42228 2.24719
75 1D6H COA 0.009954 0.42124 2.24719
76 3PJU C2E 0.003665 0.42111 2.24719
77 2Q8H TF4 0.009725 0.421 2.24719
78 3O03 NAP 0.004772 0.41647 2.24719
79 4C0C WVH 0.01635 0.41276 2.24719
80 1OWB NAD 0.01185 0.405 2.24719
81 3FSY SCA 0.01736 0.40474 2.24719
82 1A27 NAP 0.02798 0.40441 2.24719
83 4O0L NDP 0.0297 0.40424 2.24719
84 1A27 EST 0.0006512 0.4026 2.24719
85 3T2W BTN 0.0005958 0.42713 2.45902
86 3KPB SAM 0.02708 0.40852 2.45902
87 3R51 MMA 0.02261 0.40316 2.5
88 3TA2 AKG 0.001301 0.44236 2.54237
89 1UQX MMA 0.009099 0.40218 2.65487
90 4GQB 0XU 0.0007808 0.47649 2.80899
91 4DYO SD4 0.00006678 0.46957 2.80899
92 2V7T SAH 0.005347 0.45827 2.80899
93 1H16 PYR 0.001083 0.45806 2.80899
94 4R33 TRP 0.0009048 0.45446 2.80899
95 4R33 SAH 0.0009048 0.45446 2.80899
96 1EXB NDP 0.004709 0.45316 2.80899
97 4C0X AQN 0.001024 0.44951 2.80899
98 4C0X FMN 0.0007276 0.44951 2.80899
99 1HDR NAD 0.00314 0.44739 2.80899
100 1MVN PCO 0.004516 0.44562 2.80899
101 1MVN FMN 0.00205 0.44562 2.80899
102 1O0D 163 0.0005948 0.43748 2.80899
103 1Y13 BIO 0.0003887 0.43403 2.80899
104 1H16 DTL 0.005919 0.43146 2.80899
105 1BGQ RDC 0.002079 0.43107 2.80899
106 2FWP CIT 0.002911 0.4308 2.80899
107 4B16 NAG 0.01079 0.42671 2.80899
108 1C4U IH1 0.001599 0.42412 2.80899
109 1LYX PGA 0.0002588 0.42308 2.80899
110 4OYA 1VE 0.03925 0.42091 2.80899
111 4BAS GNP 0.002475 0.41961 2.80899
112 1FDJ 2FP 0.001136 0.41941 2.80899
113 1UBY DMA 0.001778 0.41917 2.80899
114 1FW1 GSH 0.000398 0.41858 2.80899
115 1IM8 SAI 0.003299 0.4147 2.80899
116 4KS7 X4Z 0.01129 0.41451 2.80899
117 2F2U M77 0.001567 0.4115 2.80899
118 2YK7 CSF 0.003753 0.41064 2.80899
119 2J4K U5P 0.02921 0.40991 2.80899
120 1FP1 SAH 0.002951 0.40853 2.80899
121 1P72 ADP 0.01014 0.40841 2.80899
122 1PX8 XYP 0.005193 0.40731 2.80899
123 3WJP ANP 0.004136 0.40706 2.80899
124 2FWP ICR 0.0152 0.40562 2.80899
125 3B2Q ATP 0.01951 0.40433 2.80899
126 2PYW ADP 0.01787 0.40139 2.80899
127 3NNF AKG 0.001013 0.44355 2.90698
128 3TCT 3MI 0.007984 0.43202 3.14961
129 1SS4 GSH 0.0005139 0.51322 3.26797
130 2YIV YIV 0.000222 0.48992 3.37079
131 2CSN CKI 0.0002028 0.47015 3.37079
132 2GSD NAD 0.0007497 0.46047 3.37079
133 3A2Q ACA ACA 0.0001726 0.45816 3.37079
134 4KQI NIO 0.0009034 0.45175 3.37079
135 1I9G SAM 0.002422 0.44962 3.37079
136 1LTH NAD 0.003407 0.44833 3.37079
137 4DQ2 BTX 0.001051 0.44614 3.37079
138 1WUR 8DG 0.0006121 0.44542 3.37079
139 1XE7 GUN 0.003335 0.44353 3.37079
140 2Z9V PXM 0.00047 0.44343 3.37079
141 3TFC PEP 0.0004704 0.44341 3.37079
142 3MD0 GDP 0.0003503 0.44189 3.37079
143 2YIV NBN 0.001835 0.43965 3.37079
144 4ARF IP8 GLY PRO ALA 0.0005573 0.43619 3.37079
145 3RO7 TDR 0.001733 0.4358 3.37079
146 3PFG TLO 0.004905 0.43161 3.37079
147 3PFG SAM 0.004905 0.43161 3.37079
148 3CL7 HYN 0.001698 0.4314 3.37079
149 1NF8 ISC 0.0005792 0.43039 3.37079
150 4B2D FBP 0.003594 0.42917 3.37079
151 1W2D 4IP 0.008975 0.42689 3.37079
152 1W2D ADP 0.002823 0.42689 3.37079
153 3CEV ARG 0.0008632 0.42683 3.37079
154 4M51 BEZ 0.005703 0.42462 3.37079
155 1WL4 COA 0.01081 0.41968 3.37079
156 1YS4 NAP 0.002742 0.41966 3.37079
157 1JA9 NDP 0.0244 0.41933 3.37079
158 4IP7 FBP 0.006433 0.4171 3.37079
159 3ZPG 5GP 0.01349 0.4141 3.37079
160 2VDJ HSE 0.009945 0.4134 3.37079
161 3DGB MUC 0.0009005 0.41257 3.37079
162 4HA6 FAD 0.01847 0.40961 3.37079
163 4O4K 2PK 0.04875 0.40884 3.37079
164 4CIB 7UZ 0.0005898 0.40879 3.37079
165 3JQ3 ADP 0.001935 0.4081 3.37079
166 3LOO B4P 0.03694 0.40359 3.37079
167 3BL6 FMC 0.005211 0.40317 3.37079
168 3SCH TB6 0.009371 0.40217 3.37079
169 3ZS7 ATP 0.02104 0.40117 3.37079
170 3RKR NAP 0.002187 0.40872 3.43511
171 1TUV VK3 0.01961 0.40618 3.50877
172 4USQ FAD 0.0001557 0.48765 3.93258
173 9LDT OXM 0.0009691 0.47977 3.93258
174 4B9E FAH 0.0003493 0.47167 3.93258
175 1PR9 NAP 0.0004163 0.46847 3.93258
176 2XK9 XK9 0.0004867 0.46701 3.93258
177 2BZ1 TAU 0.003217 0.46369 3.93258
178 1I1Q TRP 0.000172 0.44138 3.93258
179 1JQ5 NAD 0.02447 0.43881 3.93258
180 1TB4 PEJ 0.001903 0.43704 3.93258
181 4C6F NCD 0.0003318 0.43659 3.93258
182 4C6F DOR 0.0003318 0.43659 3.93258
183 4N02 FNR 0.006316 0.43651 3.93258
184 4WVH ASP HIS ASP ALA HIS ALA 0.0005253 0.43513 3.93258
185 3IOI 1GW 0.002585 0.43424 3.93258
186 2X61 CH 0.004171 0.4336 3.93258
187 9LDB NAD 0.002691 0.43221 3.93258
188 2YC5 6BC 0.003909 0.43042 3.93258
189 4JLV ADP 0.0112 0.43019 3.93258
190 2X61 NGA GAL SIA 0.01098 0.42878 3.93258
191 3I51 45C 0.0003605 0.42679 3.93258
192 1P9B HDA 0.0002012 0.42653 3.93258
193 2EI4 22B 0.008443 0.42388 3.93258
194 2PUL ACP 0.004681 0.42369 3.93258
195 4F2Q QUS 0.001059 0.42311 3.93258
196 2HXT EHM 0.001096 0.42255 3.93258
197 1JGT APC 0.01372 0.4214 3.93258
198 4G1V FAD 0.003955 0.42123 3.93258
199 4EN4 ATP 0.01905 0.42057 3.93258
200 2OI2 DP6 0.001134 0.41944 3.93258
201 1JGT CMA 0.01582 0.41704 3.93258
202 2H6T IVA VAL VAL STA ALA STA 0.002022 0.41702 3.93258
203 1Y42 TYR 0.002326 0.41579 3.93258
204 1SQ5 ADP 0.000741 0.41561 3.93258
205 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01176 0.41536 3.93258
206 2C0U FAD NBT 0.02785 0.41197 3.93258
207 1P9B IMO 0.005428 0.41118 3.93258
208 1P9B GDP 0.00287 0.41116 3.93258
209 3SVL FMN 0.003056 0.41011 3.93258
210 3K3G MMU 0.004142 0.40854 3.93258
211 1X1T NAD 0.0443 0.40845 3.93258
212 1H5Q NAP 0.02465 0.40839 3.93258
213 3D3W NAP 0.02884 0.4049 3.93258
214 1NW5 SAM 0.005476 0.40422 3.93258
215 4GYI ADP 0.009971 0.40365 3.93258
216 3IID APR 0.02764 0.40224 3.93258
217 2FR6 URI 0.0002789 0.40187 4.10959
218 2FR6 CTN 0.0002671 0.40164 4.10959
219 4F8L GAL 0.02531 0.41579 4.13793
220 2P41 SAH 0.0003743 0.44754 4.2623
221 3GM5 CIT 0.002635 0.42579 4.40252
222 2WCI GSH 0.005281 0.40701 4.44444
223 1JUV NDP 0.0000577 0.494 4.49438
224 1QF5 RPL 0.0007249 0.47425 4.49438
225 1QF5 GDP 0.0007249 0.47425 4.49438
226 2B4Q NAP 0.0007293 0.45413 4.49438
227 3OND NAD 0.002114 0.45401 4.49438
228 3OND ADN 0.002114 0.45401 4.49438
229 1UXG FUM 0.001316 0.45378 4.49438
230 1UXG NAD 0.001316 0.45378 4.49438
231 2A0W DIH 0.00106 0.45227 4.49438
232 1T26 GBD 0.009713 0.44802 4.49438
233 1T26 NAI 0.009713 0.44802 4.49438
234 4CMF PXG 0.003926 0.44398 4.49438
235 4BI7 PGA 0.0001526 0.44276 4.49438
236 2P69 PLP 0.0007638 0.44165 4.49438
237 1NVM NAD 0.0057 0.44078 4.49438
238 3MAG 3MA 0.006521 0.43782 4.49438
239 1V35 NAI 0.003741 0.43764 4.49438
240 4M5P MLA 0.006761 0.43702 4.49438
241 1EP2 FMN 0.001644 0.43673 4.49438
242 1EP2 ORO 0.002771 0.43549 4.49438
243 3MCT SAH 0.001067 0.43397 4.49438
244 1KOL NAD 0.003587 0.43313 4.49438
245 1Z44 NPO 0.01308 0.43117 4.49438
246 2ZPT A3P 0.02131 0.42974 4.49438
247 4NE2 SH2 0.004552 0.42764 4.49438
248 3JDW ORN 0.0009369 0.42757 4.49438
249 3HZS M0E 0.006925 0.42618 4.49438
250 1H9G COA MYR 0.002834 0.42563 4.49438
251 2CWH NDP 0.01042 0.42495 4.49438
252 2CWH PYC 0.01298 0.42495 4.49438
253 3ZLM ANP 0.001568 0.42341 4.49438
254 1VJT NAD 0.001824 0.42289 4.49438
255 4JWX 1N4 0.00221 0.41667 4.49438
256 4W97 UCA 0.004669 0.4138 4.49438
257 3QO8 SSA 0.002269 0.4129 4.49438
258 3CQD ATP 0.01345 0.40995 4.49438
259 4D86 ADP 0.01195 0.40993 4.49438
260 1Z42 FMN 0.002066 0.40965 4.49438
261 1U7Z PMT 0.01191 0.40787 4.49438
262 3C1O NAP 0.006939 0.4069 4.49438
263 2CE7 ADP 0.0008975 0.40611 4.49438
264 4M5P 23W 0.01463 0.4056 4.49438
265 1FP2 SAH 0.0008442 0.40511 4.49438
266 4OSP NAP 0.02746 0.40362 4.49438
267 3LST SAH 0.001087 0.40229 4.49438
268 3JYN NDP 0.03637 0.4019 4.49438
269 4NE2 ADP 0.01657 0.40187 4.49438
270 2TOH HBI 0.00955 0.40133 4.49438
271 4W6Z ETF 0.0005584 0.48106 5.05618
272 3NKS FAD 0.0003764 0.47556 5.05618
273 1OAA OAA 0.000717 0.47047 5.05618
274 3WE0 FAD 0.0009368 0.46547 5.05618
275 1GSA GSH 0.001071 0.46088 5.05618
276 3LZW FAD 0.001437 0.45216 5.05618
277 2XVE FAD 0.004259 0.44997 5.05618
278 1LDM NAD 0.005838 0.44515 5.05618
279 1I2B USQ 0.006344 0.43795 5.05618
280 1I2B NAD 0.006344 0.43795 5.05618
281 1I2B UPG 0.006344 0.43795 5.05618
282 3WBF NAP 0.001736 0.43724 5.05618
283 3V1U NAD 0.001382 0.43664 5.05618
284 2PNZ UDP 0.001419 0.43617 5.05618
285 1PL6 NAD 0.001117 0.43509 5.05618
286 3H22 B53 0.0005676 0.43338 5.05618
287 1N62 FAD 0.01151 0.43296 5.05618
288 1GSA ADP 0.006788 0.43192 5.05618
289 1C3V NDP 0.002901 0.43086 5.05618
290 1YOE RIB 0.002527 0.43059 5.05618
291 3LZW NAP 0.01097 0.42949 5.05618
292 3L6R MLI 0.003433 0.42754 5.05618
293 1PL6 572 0.004197 0.42676 5.05618
294 1KBJ FMN 0.00253 0.42607 5.05618
295 1ZJ6 G3D 0.0004016 0.42476 5.05618
296 2BLE 5GP 0.01512 0.42393 5.05618
297 4J1Q NDP 0.01233 0.41994 5.05618
298 3WBF API 0.006647 0.41844 5.05618
299 2CKM AA7 0.01246 0.41522 5.05618
300 1NML CIT 0.0007266 0.41395 5.05618
301 4LXH C1E 0.003029 0.41026 5.05618
302 1DSS NAD 0.007056 0.40812 5.05618
303 4JEJ 1GP 0.001251 0.4071 5.05618
304 4HZD COA 0.01439 0.40663 5.05618
305 2X06 NAD 0.0218 0.40616 5.05618
306 2NVK NAP 0.004239 0.40541 5.05618
307 2JLD AG1 0.0307 0.40462 5.05618
308 4UAL 3FV 0.01325 0.40408 5.05618
309 3M2W L8I 0.01039 0.40281 5.05618
310 4IZY 1J2 0.01742 0.40194 5.05618
311 1V9N NDP 0.0361 0.40099 5.05618
312 1Q7B NAP 0.03311 0.40067 5.05618
313 3VC3 C6P 0.02678 0.40031 5.05618
314 3DAK ANP 0.01317 0.40014 5.05618
315 2R40 20E 0.001742 0.43095 5.26316
316 2R40 EPH 0.01279 0.40364 5.26316
317 4JCA CIT 0.005363 0.44213 5.38922
318 1ECM TSA 0.0003724 0.44087 5.50459
319 3F8C HT1 0.004973 0.40809 5.55556
320 3OIG NAD 0.001418 0.46991 5.61798
321 4AMV F6R 0.0002266 0.45111 5.61798
322 4JB1 FAD 0.0126 0.43973 5.61798
323 4JB1 NAP 0.01217 0.43973 5.61798
324 2NLI LAC 0.005061 0.43915 5.61798
325 2NLI FMN 0.005061 0.43915 5.61798
326 3GTD MLI 0.001166 0.43409 5.61798
327 3OZG SSI 0.0006672 0.4332 5.61798
328 2P1M IHP 0.002064 0.42963 5.61798
329 1QB7 ADE 0.0005936 0.42719 5.61798
330 2VAR AMP 0.000611 0.42672 5.61798
331 1V2X SAM 0.001649 0.4246 5.61798
332 1UOU CMU 0.0002454 0.42407 5.61798
333 3UIE ADX 0.001379 0.41877 5.61798
334 2Y7P SAL 0.001967 0.41869 5.61798
335 3A1I UNU 0.001084 0.41746 5.61798
336 2Q1S NAI 0.02812 0.41712 5.61798
337 2P1O IHP 0.006258 0.4158 5.61798
338 2P1O NLA 0.006258 0.4158 5.61798
339 2YYJ 4HP 0.03914 0.41492 5.61798
340 2YYJ FAD 0.03914 0.41492 5.61798
341 3SIX GDP 0.0009375 0.41205 5.61798
342 1B63 ANP 0.01269 0.41202 5.61798
343 4LTN FMN 0.01691 0.41128 5.61798
344 4AQL TXC 0.003051 0.41014 5.61798
345 2IV2 MGD 0.02957 0.40963 5.61798
346 3OIG IMJ 0.01111 0.40914 5.61798
347 1Y0Y L2O VAL VAL ASP 0.008103 0.4079 5.61798
348 4OE4 NAD 0.0107 0.40683 5.61798
349 1LVL FAD 0.04565 0.40587 5.61798
350 3GEG NAD 0.02419 0.40518 5.61798
351 1LVL NAD 0.006207 0.40389 5.61798
352 2WSB NAD 0.04507 0.40367 5.61798
353 2QQF A1R 0.009791 0.40238 5.61798
354 4F9C 0SX 0.01377 0.40129 5.61798
355 2H6B 3C4 0.009158 0.43088 6
356 3DDC GNP 0.003072 0.42268 6.13497
357 2UZ2 BTN 0.0001869 0.4543 6.15385
358 4LFL TG6 0.001189 0.41597 6.17284
359 1Y1A GSH 0.0001274 0.53949 6.17978
360 1T8U UAP SGN IDS SGN 0.0003151 0.48006 6.17978
361 2C31 ADP 0.001677 0.4736 6.17978
362 2IXB A2G 0.0004642 0.47294 6.17978
363 2IXB NAD 0.0002764 0.47294 6.17978
364 1TIW TFB 0.000638 0.46709 6.17978
365 1TIW FAD 0.000638 0.46709 6.17978
366 3Q9T FAY 0.0006546 0.46662 6.17978
367 1TDF NAP 0.003444 0.45935 6.17978
368 4NTD FAD 0.001047 0.45799 6.17978
369 1Q0H NDP 0.001728 0.45782 6.17978
370 2EWM NAD 0.0006491 0.45766 6.17978
371 1Q0H FOM 0.001594 0.45748 6.17978
372 2C31 TZD 0.004276 0.45567 6.17978
373 3FSJ D7K 0.004981 0.45082 6.17978
374 1TDF FAD 0.003349 0.44441 6.17978
375 3M6W SAM 0.0003748 0.44277 6.17978
376 1TUF AZ1 0.001354 0.43533 6.17978
377 2ZJ5 ADP 0.001236 0.43304 6.17978
378 1T8U A3P 0.001028 0.43261 6.17978
379 4O8A 2OP 0.006725 0.42878 6.17978
380 1UF5 CDT 0.0005526 0.42835 6.17978
381 2HGZ PBF 0.002086 0.42781 6.17978
382 1J5P NAD 0.003141 0.4253 6.17978
383 3TO7 COA 0.006532 0.42428 6.17978
384 1G6O ADP 0.01564 0.42054 6.17978
385 1FFU FAD 0.01973 0.41878 6.17978
386 1SSQ CYS 0.01347 0.41768 6.17978
387 4QN7 G39 0.008008 0.41734 6.17978
388 1WDA BAG 0.001529 0.41728 6.17978
389 3H86 AP5 0.01512 0.41549 6.17978
390 3QV9 QV7 0.003524 0.41427 6.17978
391 4RJK PYR 0.01001 0.41327 6.17978
392 2IMP NAI 0.04181 0.41262 6.17978
393 2NS1 ADP 0.01022 0.41123 6.17978
394 2WA4 069 0.0009976 0.40984 6.17978
395 4OAV ACP 0.009566 0.40887 6.17978
396 2NT8 ATP 0.009035 0.40795 6.17978
397 3ZY6 GFB 0.005036 0.40747 6.17978
398 1KHT AMP 0.001722 0.40525 6.17978
399 3OJF NDP 0.03438 0.40522 6.17978
400 4K5S PM0 0.0301 0.40429 6.17978
401 4K5S FAD 0.01451 0.40429 6.17978
402 4DPL NAP 0.02959 0.40316 6.17978
403 4A6D SAM 0.006254 0.40197 6.17978
404 4O1P ANP 0.01479 0.40177 6.17978
405 1H2M OGA 0.009591 0.40174 6.17978
406 3DDN HPV 0.000877 0.40155 6.17978
407 2PZI AXX 0.01115 0.40135 6.17978
408 4B7J G39 0.0183 0.40007 6.17978
409 1V6A TRE 0.004557 0.40966 6.3253
410 1N9L FMN 0.0001316 0.41011 6.42202
411 1XVV CCQ 0.00003143 0.52379 6.74157
412 1E7S NAP 0.0006317 0.45957 6.74157
413 1RYI GOA 0.00467 0.45881 6.74157
414 3F3E LEU 0.0009865 0.45791 6.74157
415 4WBD CIT 0.004332 0.43016 6.74157
416 3W2W ATP 0.0005885 0.43014 6.74157
417 4WBD ADP 0.003115 0.42942 6.74157
418 4I71 AGV 0.001449 0.42474 6.74157
419 1CKM GTP 0.001243 0.42074 6.74157
420 2JBH 5GP 0.001373 0.41909 6.74157
421 3S2Y FMN 0.00202 0.41482 6.74157
422 1CKN GTP 0.000955 0.41449 6.74157
423 1T3Q MCN 0.0252 0.41225 6.74157
424 1UZN NAP 0.003094 0.40774 6.74157
425 3RI1 3RH 0.01975 0.40695 6.74157
426 1T3Q FAD 0.03491 0.40683 6.74157
427 3FED BIX 0.003779 0.40656 6.74157
428 3MJY FMN 0.03192 0.40375 6.74157
429 1GR0 NAD 0.03798 0.40195 6.74157
430 2WM1 13P 0.001307 0.40159 6.84524
431 2IYG FMN 0.0008263 0.41372 7.25806
432 3ZGE ASP 0.0009416 0.46087 7.30337
433 2WQP WQP 0.0004618 0.45749 7.30337
434 1V1A KDG 0.0009333 0.43527 7.30337
435 2D0V PQQ 0.001877 0.4224 7.30337
436 2DWU DGL 0.001133 0.42229 7.30337
437 1LCP PLU 0.003814 0.41889 7.30337
438 2I4O ATP 0.00171 0.41009 7.30337
439 3WO0 ADP 0.01329 0.40914 7.30337
440 3WO0 ALA 0.01329 0.40914 7.30337
441 3KYF 5GP 5GP 0.001846 0.40885 7.30337
442 2EFJ SAH 0.00335 0.40857 7.30337
443 3ABI NAD 0.024 0.40781 7.30337
444 2DTX BMA 0.03695 0.40737 7.30337
445 4HXY NDP 0.02847 0.40631 7.30337
446 4E28 9MZ 0.0076 0.40607 7.30337
447 3GWT 066 0.01299 0.40397 7.30337
448 4M2K PLP 0.001971 0.40257 7.30337
449 2CYE COA 0.01982 0.40245 7.30337
450 3E81 SLB 0.001608 0.42832 7.31707
451 1Q3P GLU ALA GLN THR ARG LEU 0.001325 0.41968 7.33945
452 1JH7 UVC 0.005617 0.4059 7.40741
453 3VPD ANP 0.0001221 0.47096 7.47331
454 1Y75 NAG 0.00234 0.41017 7.62712
455 2PT9 2MH 0.001624 0.44517 7.78816
456 2PT9 S4M 0.001575 0.43435 7.78816
457 3QVV A3P 0.01015 0.43156 7.79661
458 3QVV 3QV 0.01968 0.42268 7.79661
459 2IZ1 ATR 0.0001038 0.48587 7.86517
460 1UKW FAD 0.0009781 0.45806 7.86517
461 3L24 GOA 0.00256 0.44909 7.86517
462 1OMZ UD2 0.002559 0.44669 7.86517
463 1V5F TPP 0.02987 0.43827 7.86517
464 1V5F FAD 0.02987 0.43827 7.86517
465 1QO0 BMD 0.001698 0.43396 7.86517
466 3MB5 SAM 0.009782 0.42658 7.86517
467 1FEC FAD 0.02621 0.42116 7.86517
468 2DKH FAD 0.00618 0.41976 7.86517
469 2DKH 3HB 0.009853 0.41769 7.86517
470 2Q1A 2KT 0.004084 0.41764 7.86517
471 3MTW M3R 0.0002851 0.41484 7.86517
472 1GPJ CIT 0.004949 0.41406 7.86517
473 1PEA ACM 0.009834 0.41363 7.86517
474 1FBL HTA 0.001555 0.41163 7.86517
475 1F74 NAY 0.002458 0.41157 7.86517
476 1OTH PAO 0.009498 0.4108 7.86517
477 1GEX PLP HSA 0.006107 0.41065 7.86517
478 1VR0 3SL 0.001401 0.40795 7.86517
479 3MBG FAD 0.0008804 0.44452 7.91367
480 1QSR ACO 0.02478 0.40062 8.02469
481 4K30 NLG 0.0008551 0.43309 8.125
482 1T0S BML 0.006387 0.42234 8.13953
483 2WGC SIA GAL BGC 0.02304 0.41798 8.18713
484 1RBO CAP 0.009487 0.45782 8.42105
485 2ZWS PLM 0.0004993 0.50675 8.42697
486 3RFV NAI 0.0003252 0.46532 8.42697
487 4GYW UDP 0.0004851 0.46431 8.42697
488 4AF5 CIT 0.000508 0.45638 8.42697
489 1ZK7 FAD 0.003094 0.445 8.42697
490 4IOK XPO 0.0008475 0.44169 8.42697
491 4IOK ADP 0.001136 0.44169 8.42697
492 1DXY COI 0.005491 0.43304 8.42697
493 4KCF AKM 0.002126 0.4258 8.42697
494 3K37 BCZ 0.02114 0.42543 8.42697
495 2WIC GNP 0.002313 0.42519 8.42697
496 3ZRM ZRM 0.004852 0.42505 8.42697
497 1AUX AGS 0.001358 0.42368 8.42697
498 3ZRR PXG 0.00181 0.42302 8.42697
499 3B1F NAD 0.002619 0.42046 8.42697
500 3HMO STU 0.005517 0.42029 8.42697
501 3DG6 MUC 0.0009164 0.40492 8.42697
502 4CQM NAP 0.02825 0.4042 8.42697
503 1ATL 0QI 0.02109 0.40112 8.42697
504 4KCF FMN 0.004881 0.40017 8.42697
505 1OFH ADP 0.006228 0.41031 8.62069
506 1POC GEL 0.001463 0.42243 8.95522
507 1IYE PGU 0.0001401 0.48509 8.98876
508 3GE7 AFQ 0.001261 0.44848 8.98876
509 1Q3Q ANP 0.00665 0.43851 8.98876
510 1P9P SAH 0.001328 0.43213 8.98876
511 1WVG APR 0.002028 0.42994 8.98876
512 1WVG CXY 0.001552 0.42944 8.98876
513 2RH4 EMO 0.04758 0.40648 8.98876
514 4PO2 ASN ARG LEU LEU LEU THR GLY 0.006045 0.40607 8.98876
515 3M0J OAF 0.01157 0.40604 8.98876
516 2C4I BTN 0.00389 0.40394 8.98876
517 3PNL ADP 0.0005189 0.44826 9.00474
518 1NU4 MLA 0.0006034 0.50237 9.27835
519 3S9K CIT 0.006697 0.44033 9.32203
520 1TU3 GNP 0.002921 0.42356 9.35672
521 1R2Q GNP 0.03821 0.40078 9.41177
522 1I0Z OXM 0.0009888 0.46907 9.55056
523 1SOW NAD 0.003063 0.43119 9.55056
524 5YAS FAC 0.000565 0.42799 9.55056
525 2TPL HPP 0.003277 0.42155 9.55056
526 3QP6 HL6 0.001489 0.4175 9.55056
527 1XSE NDP 0.03664 0.40845 9.55056
528 3CQ5 PMP 0.002708 0.40773 9.55056
529 1XX4 BAM 0.005945 0.43137 9.57854
530 4EXO PYR 0.0003596 0.48023 9.58904
531 4Q3R XA2 0.006747 0.40891 9.87013
532 1OGD RIP 0.0007643 0.43503 9.92366
533 1UW1 ADP 0.0006006 0.44596 10
534 3SQG COM 0.002393 0.45989 10.1124
535 1FIQ FAD 0.001072 0.4527 10.1124
536 1VDC FAD 0.002857 0.4483 10.1124
537 1FIQ SAL 0.001922 0.43957 10.1124
538 1FIQ MTE 0.001651 0.43957 10.1124
539 2NX1 RP5 0.004191 0.4202 10.1124
540 2NX1 PEP 0.004319 0.41967 10.1124
541 1V97 FAD 0.04347 0.4162 10.1124
542 2J8Z NAP 0.008188 0.4097 10.1124
543 3CF6 SP1 0.0004724 0.40789 10.1124
544 5FIT AP2 0.001493 0.41495 10.2041
545 3NUG NAD 0.01468 0.41989 10.6742
546 4COQ SAN 0.004193 0.41715 10.6742
547 1CBF SAH 0.0004121 0.41177 10.6742
548 1O68 KIV 0.003545 0.4085 10.6742
549 2AE2 NAP 0.04037 0.40622 10.6742
550 3LXN MI1 0.01899 0.4001 10.6742
551 1GU3 BGC BGC BGC BGC BGC 0.003009 0.41133 10.7383
552 1GJW GLC 0.0007894 0.45593 11.236
553 2PWY SAH 0.0004522 0.45254 11.236
554 4MZ7 DGT 0.001706 0.43899 11.236
555 4MZ7 DTP 0.001727 0.43877 11.236
556 3HRD FAD 0.03261 0.41201 11.236
557 1MDZ DCS 0.01076 0.40972 11.236
558 1MDZ PLP 0.01009 0.40972 11.236
559 1IUP ALQ 0.01327 0.40236 11.236
560 4PVV HO4 0.04704 0.40092 11.236
561 1R27 MGD 0.001383 0.45054 11.7978
562 1YBH FAD 0.00247 0.44327 11.7978
563 1NN5 ANP 0.002052 0.4357 11.7978
564 1NN5 2DT 0.002052 0.4357 11.7978
565 1YBH P22 0.0004477 0.43175 11.7978
566 2VQ5 LDP 0.00616 0.43062 11.7978
567 2PZM NAD 0.02043 0.42448 11.7978
568 4KWI NAP 0.03826 0.40746 11.7978
569 4KWI 1TJ 0.03971 0.40746 11.7978
570 2VQ5 HBA 0.01206 0.40321 11.7978
571 3JQM GTP 0.00128 0.40896 12.1019
572 2J7T 274 0.002752 0.42907 12.3596
573 1VQ2 DDN 0.001501 0.422 12.3596
574 1ZGA SAH 0.002493 0.40902 12.3596
575 2QLU ADE 0.009705 0.40753 12.3596
576 2Q97 ATP 0.007007 0.40352 12.3596
577 1YGC 905 0.002706 0.41619 12.6984
578 1M5B BN1 0.0005608 0.48626 12.9213
579 2OYS FMN 0.0002367 0.45967 12.9213
580 1NZY BCA 0.002596 0.42866 12.9213
581 3LTW HLZ 0.002563 0.4263 12.9213
582 4LWA Q13 0.01015 0.41714 12.9213
583 1RYD NDP 0.01219 0.41176 12.9213
584 4G28 0W8 0.003003 0.40601 13.4228
585 2YGN PCF 0.005654 0.41628 13.4615
586 1H2B NAJ 0.0006357 0.46083 13.4831
587 2YVF NAD 0.002969 0.45701 13.4831
588 2YVF FAD 0.002862 0.45701 13.4831
589 4NES UDP 0.0009453 0.42974 13.4831
590 1B9I PXG 0.001993 0.42691 13.4831
591 4IVG ANP 0.01191 0.42283 13.4831
592 1EZV SMA 0.003351 0.42268 13.4831
593 1FS5 TLA 0.007002 0.41042 13.4831
594 4NES UD1 0.003687 0.409 13.4831
595 2B82 ADN 0.007068 0.40167 13.4831
596 1R0X ATP 0.001155 0.45005 14.0449
597 4LIT AKG 0.0006138 0.44557 14.0449
598 4LHM AZZ 0.004974 0.40809 14.0449
599 4P32 ADP 0.02036 0.40029 14.0562
600 2Q8M AMP 0.0001046 0.44652 14.6067
601 2Q37 3AL 0.0006016 0.44593 14.6067
602 2ZJ3 G6P 0.0005582 0.44297 14.6067
603 1ECC PCP 0.002111 0.42592 14.6067
604 1WRA PC 0.007317 0.4129 14.6067
605 2OWZ CIT 0.007166 0.40717 14.6067
606 3DCM SAM 0.0000892 0.47405 15.1685
607 1QH9 LAC 0.0004708 0.45779 15.1685
608 1B8U OAA 0.0008517 0.4542 15.1685
609 1NVU GTP 0.004894 0.44295 15.1685
610 1KY8 NAP 0.03704 0.40907 15.1685
611 1B8U NAD 0.007005 0.40182 15.1685
612 1OGZ EQU 0.003558 0.40077 15.2
613 4LNL PLG 0.002321 0.4102 15.7303
614 4LNL 2BO 0.003252 0.40692 15.7303
615 4LNL 2BK 0.003252 0.40692 15.7303
616 4BCS BTN 0.002462 0.41154 16
617 2YPO PHE 0.0001818 0.47887 16.2921
618 2GDZ NAD 0.0003883 0.46535 16.2921
619 3KJI ADP 0.0008187 0.42981 16.2921
620 1D3V ABH 0.003567 0.42006 16.2921
621 1OLS TDP 0.01488 0.41454 16.2921
622 2HMT NAI 0.004697 0.43889 16.6667
623 3I6B KDO 0.0001855 0.4336 16.8539
624 2F5T MAL 0.0009003 0.43276 16.8539
625 1VJO PLP 0.001479 0.42 16.8539
626 4KGM ATP 0.001282 0.40652 16.8539
627 2C5S AMP 0.004205 0.40038 16.8539
628 4EKV BTN 0.002183 0.43856 16.9811
629 1C0I BE2 0.001556 0.45794 17.4157
630 1C0I FAD 0.001556 0.45794 17.4157
631 2V6O FAD 0.02381 0.422 17.4157
632 2AEB ABH 0.007962 0.41575 17.4157
633 3FW3 GLC 0.01359 0.41368 17.4157
634 4C5N PXL 0.02962 0.40651 17.4157
635 4C5N ACP 0.02821 0.40651 17.4157
636 3LIH RAF 0.005318 0.40283 17.4157
637 2BKK ADP 0.007452 0.40961 17.7515
638 2YBQ SAH 0.0001607 0.46408 17.9775
639 2YBQ UP2 0.0006588 0.46408 17.9775
640 1X54 4AD 0.0003548 0.45859 17.9775
641 1TOI HCI 0.002662 0.42966 17.9775
642 2EB5 OXL 0.00284 0.4244 17.9775
643 3A8U PLP 0.0009496 0.40014 17.9775
644 2GJ3 FAD 0.0004952 0.46177 18.3333
645 2ZSC BTN 0.0005337 0.41364 18.4397
646 4PLG OXM 0.0003114 0.47903 18.5393
647 4PLG NAI 0.0003114 0.47903 18.5393
648 2HW1 ANP 0.001326 0.43027 18.5393
649 2QA1 FAD 0.005417 0.42447 18.5393
650 1JIL 485 0.003636 0.41118 18.5393
651 2W1A TSA 0.0005677 0.42791 18.8889
652 2BGM NAJ 0.007159 0.43708 19.1011
653 4JP3 CIT 0.001757 0.40216 19.1011
654 1SC3 MLI 0.0002901 0.48454 19.3182
655 1QD0 RR6 0.0002773 0.43062 19.5312
656 3FXU TSU 0.001299 0.43604 19.6629
657 2QS8 MET 0.006492 0.41383 20.2247
658 3U4C NDP 0.002255 0.43261 20.7865
659 2Y7G AAE 0.000164 0.42318 20.7865
660 3RHZ UDP 0.002433 0.41601 20.7865
661 3C6K SPD 0.02571 0.41281 21.9101
662 2C7G FAD 0.006214 0.43909 22.4719
663 2C7G ODP 0.00765 0.43434 22.4719
664 4IAE 1DX 0.00649 0.43401 22.4719
665 3NCQ ATP 0.003303 0.41468 22.6891
666 2XDQ MGX 0.00012 0.51333 23.5955
667 4KXV TDP DX5 0.01236 0.4125 24.1573
668 1ZFJ IMP 0.0263 0.40294 24.1573
669 1BTN I3P 0.0006561 0.50611 24.5283
670 1X92 M7P 0.00117 0.40857 24.6231
671 1TRD PGH 0.001404 0.41595 24.8
672 3IO3 ADP 0.001407 0.42524 25.2809
673 2FMD MAN MAN 0.004294 0.40836 25.2809
674 1DLJ NAI 0.001289 0.46518 26.4045
675 1DLJ UGA 0.002394 0.4534 26.4045
676 3P3N AKG 0.007673 0.4059 30
677 4AAW R84 0.03097 0.403 30.8989
Pocket No.: 2; Query (leader) PDB : 2DTJ; Ligand: THR; 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: 2dtj.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2DTJ; Ligand: THR; Similar sites found: 33
This union binding pocket(no: 3) in the query (biounit: 2dtj.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1CLU DBG 0.03292 0.41091 None
2 3MMG GLU THR VAL ARG PHE GLN SER ASP 0.02676 0.40166 1.1236
3 5W2I I3P 0.01131 0.41606 2.24719
4 5W2I ADP 0.01131 0.41606 2.24719
5 5TO8 7FM 0.03068 0.40977 2.80899
6 5VYR B62 0.03366 0.4003 2.80899
7 5VYR GMP 0.03366 0.4003 2.80899
8 5E5U MLI 0.003871 0.44658 3.37079
9 4WZ8 3W7 0.01952 0.42379 3.93258
10 4EN4 GT1 0.01905 0.42057 3.93258
11 4EN4 GT0 0.01905 0.42057 3.93258
12 3F7Z 34O 0.008249 0.41398 3.93258
13 4XH0 ADP 0.009713 0.4137 3.93258
14 5HVJ ANP 0.01256 0.4101 3.93258
15 5H2D ERG 0.02154 0.40067 3.93258
16 5MW8 ATP 0.01094 0.41519 4.49438
17 4A4X JUP 0.01953 0.4072 5.05618
18 2XG5 EC2 0.006121 0.41534 5.20231
19 5EYK 5U5 0.02616 0.40216 5.61798
20 5LI1 ANP 0.01948 0.40123 5.61798
21 2V3V MGD 0.03953 0.4253 6.17978
22 4PPF FLC 0.01183 0.41569 6.17978
23 4YZN 4K5 0.01989 0.40239 6.17978
24 3MJY IJZ 0.03192 0.40375 6.74157
25 4WW7 AMP 0.01919 0.40156 7.86517
26 5N87 N66 0.02803 0.40881 8.42697
27 3KC1 2T6 0.01471 0.40375 9.55056
28 2PZM UDP 0.02043 0.42448 11.7978
29 5FII PHE 0.000003889 0.54061 14.7059
30 5H4I 7HQ 0.01257 0.4272 18.8679
31 3MVH WFE 0.03187 0.40032 20.7865
32 5GS9 ARG 0.0001722 0.48934 21.9101
33 3C6K MTA 0.02571 0.41281 21.9101
Pocket No.: 4; Query (leader) PDB : 2DTJ; Ligand: THR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2dtj.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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