Receptor
PDB id Resolution Class Description Source Keywords
3DER 1.9 Å EC: 5.-.-.- CRYSTAL STRUCTURE OF DIPEPTIDE EPIMERASE FROM THERMOTOGA MARITIMA COMPLEXED WITH L-ALA-L-LYS DIPEPTIDE THERMOTOGA MARITIMA MSB8 DIPEPTIDE EPIMERASE THERMOTOGA MARITIMA ENZYMATIC FUNCTION ISOMERASE
Ref.: DISCOVERY OF A DIPEPTIDE EPIMERASE ENZYMATIC FUNCTION GUIDED BY HOMOLOGY MODELING AND VIRTUAL SCREENING. STRUCTURE V. 16 1668 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA LYS A:411;
B:411;
C:411;
D:411;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
218.277 n/a O=C([...
MG A:401;
B:401;
C:401;
D:401;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DER 1.9 Å EC: 5.-.-.- CRYSTAL STRUCTURE OF DIPEPTIDE EPIMERASE FROM THERMOTOGA MARITIMA COMPLEXED WITH L-ALA-L-LYS DIPEPTIDE THERMOTOGA MARITIMA MSB8 DIPEPTIDE EPIMERASE THERMOTOGA MARITIMA ENZYMATIC FUNCTION ISOMERASE
Ref.: DISCOVERY OF A DIPEPTIDE EPIMERASE ENZYMATIC FUNCTION GUIDED BY HOMOLOGY MODELING AND VIRTUAL SCREENING. STRUCTURE V. 16 1668 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 3DES - ALA PHE n/a n/a
2 3DER - ALA LYS n/a n/a
3 3DEQ - ALA LEU n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 3DES - ALA PHE n/a n/a
2 3DER - ALA LYS n/a n/a
3 3DEQ - ALA LEU n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 1TKK - ALA GLU n/a n/a
2 3DG6 - MUC C6 H6 O4 C1=CC(=O)O....
3 3DG7 - MUC C6 H6 O4 C1=CC(=O)O....
4 2P8B - NSK C10 H18 N2 O5 C(CCN)C[C@....
5 2P8C - SUG C10 H18 N4 O5 C(C[C@@H](....
6 3DES - ALA PHE n/a n/a
7 3DER - ALA LYS n/a n/a
8 3DEQ - ALA LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA LYS; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA LYS 1 1
2 VAL LYS 0.707317 0.939394
3 LYS LYS 0.682927 0.9375
4 ALA ARG 0.608696 0.75
5 GLN LYS 0.608696 0.857143
6 LYS LYS LYS 0.595745 0.857143
7 ALA DGL 0.595238 0.787879
8 LYS ALA LYS 0.591837 0.885714
9 LYS DPP LYS 0.583333 0.810811
10 LYS DAB LYS 0.583333 0.833333
11 LYS LEU LYS 0.568627 0.815789
12 LYS NVA LYS 0.568627 0.837838
13 LYS VAL LYS 0.568627 0.837838
14 LYS SER LYS 0.56 0.731707
15 LYS CYS LYS 0.56 0.789474
16 LYS NLE LYS 0.557692 0.815789
17 LYS ASP LYS 0.54902 0.810811
18 LYS THR LYS 0.54717 0.775
19 LYS ASN LYS 0.538462 0.75
20 LYS GLU LYS 0.528302 0.833333
21 LYS ILE LYS 0.527273 0.815789
22 LYS MET LYS 0.527273 0.775
23 ALA LEU 0.52381 0.676471
24 LYS GLN LYS 0.518519 0.810811
25 LYS ORN LYS 0.5 0.810811
26 LYS GLY LYS 0.490566 0.789474
27 LYS ALA THR LYS MLY 0.483333 0.62
28 LYS ARG LYS 0.482759 0.697674
29 ALA LYS ALA ALA 0.464286 0.828571
30 LYS LYS LYS ALA 0.462963 0.885714
31 LYS ALC LYS 0.459016 0.789474
32 ALA PRO ALA LEU ARG VAL VAL LYS 0.458333 0.673913
33 PHE GLU ALA LYS LYS LEU VAL 0.453125 0.815789
34 ALA ZGL 0.446809 0.75
35 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.446154 0.72093
36 LYS TYR LYS 0.444444 0.697674
37 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.442623 0.681818
38 ALA PHE 0.442308 0.676471
39 LYS HPE LYS 0.4375 0.789474
40 LYS HIS LYS 0.424242 0.666667
41 LYS ASN LEU 0.423729 0.738095
42 DAL DAL 0.414634 0.625
43 ALA ALA 0.414634 0.625
44 LYS ALN LYS 0.4 0.714286
45 ALA LEU ALA LEU 0.4 0.675676
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DER; Ligand: ALA LYS; Similar sites found: 395
This union binding pocket(no: 1) in the query (biounit: 3der.bio3) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QLX RM4 0.003212 0.44409 None
2 3K3K A8S 0.0002193 0.42104 None
3 2ALG HP6 0.0003434 0.41848 None
4 2ALG DAO 0.0003434 0.41848 None
5 1JYQ MAZ PTR PTM ASN 0.003671 0.41765 None
6 4FWE FAD 0.0008488 0.43524 1.15942
7 2XCG XCG 0.002502 0.40338 1.44928
8 1NZY BCA 0.0006999 0.41913 1.48699
9 1CKM GTP 0.001021 0.44032 1.51515
10 1ZJ6 G3D 0.00206 0.41784 1.60428
11 1O9U ADZ 0.002128 0.46861 1.73913
12 1P4C FMN 0.0006143 0.4576 1.73913
13 4HA6 FAD 0.0004482 0.44522 1.73913
14 3PC3 P1T 0.00006807 0.44116 1.73913
15 4AT0 FAD 0.0009597 0.43724 1.73913
16 1TFZ 869 0.0001173 0.42965 1.73913
17 4OYA 1VE 0.0135 0.4194 1.73913
18 4NM5 ADP 0.0003898 0.41872 1.73913
19 3NKS FAD 0.004094 0.40454 1.73913
20 3A1I UNU 0.006529 0.40302 1.73913
21 4MP8 NAD 0.002065 0.415 1.76991
22 4MP8 MLI 0.002065 0.415 1.76991
23 3CKJ CIT 0.0003313 0.42837 1.82371
24 3KO8 NAD 0.001241 0.41652 1.92308
25 1T57 FMN 0.0002975 0.42253 1.94175
26 4A8H PUW 0.001097 0.41628 1.97183
27 2J7T 274 0.002303 0.4032 1.98676
28 2V5E SCR 0.009847 0.44296 2
29 3SHR CMP 0.001358 0.42985 2.00669
30 2Q8H TF4 0.003193 0.45971 2.02899
31 4L7I SAM 0.0008316 0.41846 2.02899
32 4C0C WVH 0.00283 0.41735 2.02899
33 1JQI FAD 0.002333 0.41199 2.02899
34 4KQI RBZ 0.002272 0.40617 2.02899
35 4KQI NIO 0.002272 0.40617 2.02899
36 1Q11 TYE 0.00933 0.40602 2.02899
37 1JQI CAA 0.001306 0.40519 2.02899
38 1RYI FAD 0.005266 0.40477 2.02899
39 1RYI GOA 0.007178 0.40181 2.02899
40 4DEC 3PG 0.0003443 0.42781 2.03488
41 4DEC UDP 0.0003443 0.42781 2.03488
42 1OMZ UD2 0.00273 0.41696 2.04778
43 4PLG OXM 0.003049 0.40904 2.09581
44 4PLG NAI 0.003049 0.40904 2.09581
45 1A69 FMB 0.01221 0.40546 2.10084
46 1MZV AMP 0.002306 0.42082 2.12766
47 1EYE PMM 0.0003154 0.44891 2.14286
48 3OIG NAD 0.009509 0.40826 2.25564
49 3FXU TSU 0.0004678 0.4199 2.29508
50 3WO0 ALA 0.0009185 0.42617 2.31884
51 3WO0 ADP 0.0009185 0.42617 2.31884
52 3MPI GRA 0.002887 0.42396 2.31884
53 4KCT PYR 0.003016 0.42125 2.31884
54 2C31 ADP 0.007248 0.41908 2.31884
55 2C31 TZD 0.007504 0.41908 2.31884
56 4KS1 2H8 0.003467 0.41322 2.31884
57 3WD1 ST7 0.003885 0.41143 2.31884
58 1D6H COA 0.00503 0.40738 2.31884
59 2QA1 FAD 0.003421 0.40502 2.31884
60 4KCT FDP 0.005893 0.40041 2.31884
61 4NE2 SH2 0.003008 0.40697 2.39521
62 1D3V ABH 0.001876 0.40164 2.47678
63 3LTW HLZ 0.0003229 0.48214 2.5
64 3TA2 AKG 0.002648 0.40114 2.54237
65 1K97 ASP 0.001855 0.44674 2.6087
66 1K97 CIR 0.001855 0.44674 2.6087
67 2F2U M77 0.001539 0.42773 2.6087
68 2YVF FAD 0.003599 0.42488 2.6087
69 1YB5 NAP 0.0008487 0.42485 2.6087
70 1GR0 NAD 0.006393 0.42235 2.6087
71 4G87 UD1 0.002426 0.42117 2.6087
72 1H2B NAJ 0.002154 0.40957 2.6087
73 2NLI LAC 0.00995 0.40752 2.6087
74 1MG1 MAL 0.001448 0.40019 2.6087
75 2EB5 OXL 0.0004144 0.47728 2.62172
76 1UF5 CDT 0.003388 0.41425 2.64026
77 1M5B BN1 0.001115 0.44175 2.6616
78 1LL2 UPG 0.0007413 0.4077 2.7027
79 2X61 NGA GAL SIA 0.01207 0.40299 2.71318
80 1NN5 2DT 0.002282 0.40474 2.7907
81 1NN5 ANP 0.002282 0.40474 2.7907
82 1IUP ALQ 0.001292 0.41314 2.83688
83 3FC4 EDO 0.00128 0.43706 2.89855
84 4R33 SAH 0.0003724 0.43589 2.89855
85 4R33 TRP 0.0003724 0.43589 2.89855
86 3F3E LEU 0.0005495 0.43522 2.89855
87 1TB4 PEJ 0.0007292 0.42158 2.89855
88 2RGH FAD 0.001931 0.41932 2.89855
89 4GYW UDP 0.001267 0.4162 2.89855
90 4W6Z 8ID 0.002501 0.41094 2.89855
91 2PTR 2SA 0.001953 0.40263 2.89855
92 2BII MTV 0.001489 0.40159 2.89855
93 3WBF API 0.0006603 0.4273 2.95082
94 3WBF NAP 0.001359 0.41095 2.95082
95 1VDC FAD 0.00564 0.40913 3.003
96 1DXY NAD 0.001695 0.40469 3.003
97 3LZW NAP 0.006296 0.41431 3.01205
98 3LZW FAD 0.003223 0.40928 3.01205
99 3IOI 1GW 0.002719 0.4048 3.02013
100 4NAT 2W5 0.0009106 0.42751 3.125
101 4NAT ADP 0.02237 0.40424 3.125
102 1A8R GTP 0.0009562 0.40017 3.16742
103 2RHW C0E 0.01259 0.40496 3.18021
104 3P3N AKG 0.001075 0.45871 3.18841
105 2IXB NAD 0.0009145 0.41968 3.18841
106 1U5R ATP 0.001482 0.41397 3.18841
107 2WA4 069 0.003825 0.40758 3.18841
108 3S7O LBV 0.0003169 0.43541 3.207
109 3I0O SMI 0.0006357 0.46167 3.24484
110 3I0O ADP 0.002564 0.41901 3.24484
111 3MAG 3MA 0.006105 0.45394 3.25733
112 4CS4 AXZ 0.002053 0.42142 3.28467
113 4CS4 ANP 0.001731 0.41769 3.28467
114 2OYS FMN 0.001211 0.40081 3.30579
115 4CKU P2F 0.0007721 0.44068 3.34347
116 4DQ2 BTX 0.001022 0.41513 3.35366
117 2NX1 PEP 0.0006853 0.41944 3.37079
118 2NX1 RP5 0.0008252 0.41673 3.37079
119 3S9K CIT 0.006959 0.45461 3.38983
120 1KDK DHT 0.000124 0.43489 3.38983
121 2ORV 4TA 0.0002874 0.40412 3.4188
122 2FR6 URI 0.002072 0.40064 3.42466
123 2FR6 CTN 0.002147 0.40012 3.42466
124 1LTH NAD 0.01023 0.40706 3.44828
125 3OND NAD 0.0006637 0.44308 3.47826
126 3OND ADN 0.0006637 0.44308 3.47826
127 3PLN U5P 0.001541 0.43883 3.47826
128 3CXO 1N5 0.0003954 0.43212 3.47826
129 3CXO 3LR 0.0003368 0.43142 3.47826
130 4NES UD1 0.0001613 0.42166 3.47826
131 4IVG ANP 0.0003683 0.42146 3.47826
132 4BJZ P3A 0.01086 0.41228 3.47826
133 4BJZ FAD 0.01086 0.41228 3.47826
134 1V5F TPP 0.04026 0.41156 3.47826
135 1V5F FAD 0.04026 0.41156 3.47826
136 2XVE FAD 0.009489 0.40963 3.47826
137 1YBH FAD 0.0197 0.40834 3.47826
138 4USQ FAD 0.002803 0.40685 3.47826
139 3QO8 SSA 0.0002328 0.40567 3.47826
140 1TDF NAP 0.0005507 0.46223 3.48101
141 1TDF FAD 0.001529 0.42893 3.48101
142 2G86 UMP 0.003081 0.4196 3.48101
143 1G0N PHH 0.0003913 0.44514 3.53357
144 1G0N NDP 0.002278 0.41461 3.53357
145 1U7Z PMT 0.0002214 0.44368 3.53982
146 4A8T PAO 0.004745 0.42104 3.53982
147 1SQ5 PAU 0.005874 0.41447 3.57143
148 1SQ5 ADP 0.004854 0.40363 3.57143
149 3ZS7 ATP 0.000862 0.40751 3.66667
150 2Y7P SAL 0.001374 0.44092 3.66972
151 1F1V DHY 0.001242 0.43688 3.71517
152 1SNY NAP 0.0005177 0.4219 3.74532
153 3GE7 AFQ 0.0001964 0.44548 3.76812
154 1ME8 RVP 0.002796 0.43863 3.76812
155 2WQP WQP 0.0002084 0.43509 3.76812
156 1DLJ UGA 0.002324 0.42495 3.76812
157 4B7J G39 0.002089 0.41003 3.76812
158 1DLJ NAI 0.006004 0.40979 3.76812
159 3PFG TLO 0.004312 0.40688 3.80228
160 3PFG SAM 0.004312 0.40688 3.80228
161 3QP4 HL0 0.0001344 0.41622 3.84615
162 4RJK PYR 0.01325 0.42157 3.85289
163 4RJK TPP 0.0001188 0.40263 3.85289
164 1XIU REA 0.001724 0.40739 3.91304
165 2VHJ ADP 0.0001623 0.42527 3.92749
166 1JA9 PYQ 0.0008129 0.41849 4.0146
167 1JA9 NDP 0.01372 0.4072 4.0146
168 2CSN CKI 0.001609 0.40385 4.0404
169 1Q0H NDP 0.0006805 0.44269 4.05797
170 1Q0H FOM 0.001638 0.4269 4.05797
171 1SB8 UD2 0.002638 0.4246 4.05797
172 2C7G FAD 0.00369 0.42154 4.05797
173 3NYQ AMP 0.001055 0.42027 4.05797
174 1M7Y PPG 0.0007981 0.42025 4.05797
175 2C7G ODP 0.004178 0.41877 4.05797
176 3NYQ MCA 0.00115 0.41765 4.05797
177 1SB8 NAD 0.003902 0.41498 4.05797
178 1FIQ SAL 0.002333 0.40709 4.05797
179 1UMP SQA 0.001717 0.40292 4.05797
180 4QDC ASD 0.002205 0.40163 4.05797
181 1PR9 NAP 0.0003329 0.43757 4.09836
182 3D3W NAP 0.0008841 0.42018 4.09836
183 1GSA ADP 0.002722 0.4207 4.11392
184 1B55 4IP 0.00009047 0.41312 4.14201
185 1Y9Q MED 0.0006286 0.46916 4.16667
186 1FW1 GSH 0.003876 0.40304 4.16667
187 4KCF AKM 0.001142 0.40536 4.18502
188 4KCF FMN 0.004289 0.40382 4.18502
189 2XDQ MGX 0.0009588 0.48607 4.34783
190 2V7T SAH 0.002137 0.4476 4.34783
191 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.004369 0.40668 4.34783
192 3F81 STT 0.01158 0.43141 4.37158
193 1V6A TRE 0.008021 0.41393 4.51807
194 1SS4 GSH 0.0005007 0.53034 4.57516
195 1SS4 CIT 0.002858 0.49959 4.57516
196 2Z9V PXM 0.001973 0.43434 4.63768
197 2NCD ADP 0.00296 0.43272 4.63768
198 1TIW FAD 0.002151 0.41549 4.63768
199 1TIW TFB 0.002151 0.41549 4.63768
200 1X54 4AD 0.0008177 0.4119 4.63768
201 4O8A FAD 0.001556 0.41178 4.63768
202 1ULE GLA GAL NAG 0.0006535 0.48492 4.66667
203 1OTH PAO 0.0002769 0.43889 4.6729
204 3MB5 SAM 0.002957 0.42111 4.70588
205 3CF6 SP1 0.00204 0.40899 4.79042
206 1RBO CAP 0.01886 0.42073 4.87805
207 4BG1 IVL 0.0005355 0.41225 4.92754
208 4BG1 OGA 0.0005355 0.41225 4.92754
209 1ZK7 FAD 0.005434 0.40799 4.92754
210 1QPB PYM 0.001639 0.40518 4.92754
211 1QPB TPP 0.00172 0.40447 4.92754
212 1H9G COA MYR 0.000801 0.41557 4.93827
213 2PT9 2MH 0.001092 0.42105 4.98442
214 1OAA OAA 0.0005432 0.44222 5.01931
215 1GS5 NLG 0.00174 0.41277 5.03876
216 1GS5 ANP 0.00174 0.41277 5.03876
217 1R6D DAU 0.00392 0.41823 5.04451
218 3RF4 FUN 0.007897 0.40907 5.17241
219 2RDT 2RD 0.002011 0.43794 5.21739
220 1I2B NAD 0.001531 0.435 5.21739
221 1I2B UPG 0.001531 0.435 5.21739
222 1I2B USQ 0.001531 0.435 5.21739
223 1QF5 GDP 0.003811 0.41536 5.21739
224 1QF5 RPL 0.003811 0.41536 5.21739
225 1O0S NAI 0.0002782 0.41081 5.21739
226 1GRO ICT 0.007625 0.40349 5.21739
227 2RDT FMN 0.01184 0.40189 5.21739
228 2Q1S NAI 0.007356 0.40143 5.21739
229 3PJU C2E 0.0011 0.41097 5.22088
230 2YC5 6BC 0.0008297 0.42647 5.26316
231 4B8V NDG NAG NAG NAG 0.0006851 0.41783 5.26316
232 4COQ SAN 0.01079 0.4137 5.26316
233 3IIS PID 0.008729 0.41537 5.29801
234 2DTX BMA 0.0002176 0.45187 5.30303
235 1HDR NAD 0.007896 0.4046 5.32787
236 2XD9 XD9 0.03291 0.4135 5.38922
237 1V35 NAI 0.000008431 0.50469 5.47112
238 1I7L ATP 0.0001986 0.43024 5.50162
239 3NFZ 3NF 0.003783 0.40776 5.50459
240 1QO0 BMD 0.001068 0.45883 5.50725
241 1PEA ACM 0.01409 0.42027 5.50725
242 3A2Q ACA ACA 0.0001602 0.41731 5.50725
243 1E5F PLP 0.0002856 0.40609 5.50725
244 1T26 NAI 0.006322 0.43084 5.59006
245 1T26 GBD 0.006322 0.43084 5.59006
246 2IYG FMN 0.0007894 0.43372 5.64516
247 1YRX FMN 0.001046 0.42411 5.78512
248 4GQB 0XU 0.003109 0.42196 5.7971
249 1N1G BCP 0.003997 0.40266 5.7971
250 2GJN FMN 0.0002362 0.40169 5.7971
251 1DR1 NAP 0.003015 0.40922 5.82011
252 1DR1 HBI 0.003015 0.40922 5.82011
253 1EXB NDP 0.01764 0.40411 5.82524
254 3CQD ATP 0.004327 0.40369 5.82524
255 1F3L SAH 0.0008728 0.40046 5.919
256 3R35 4CO 0.0005449 0.42736 5.96026
257 3I28 34N 0.001665 0.42758 6.08696
258 3ZPG 5GP 0.02241 0.41684 6.08696
259 3K37 BCZ 0.01916 0.40486 6.08696
260 1EP2 FMN 0.000785 0.41746 6.10932
261 1EP2 ORO 0.001894 0.41275 6.10932
262 4OB6 S2T 0.00184 0.4106 6.15836
263 3TN7 NJP 0.002749 0.40333 6.22568
264 3IU9 T07 0.01191 0.40389 6.25
265 3SFI 3SF 0.002304 0.41658 6.35593
266 2BLE 5GP 0.008685 0.40975 6.37681
267 1YAG ATP 0.001114 0.40571 6.37681
268 3P9C SAH 0.002643 0.40523 6.37681
269 4C12 ADP 0.009937 0.40325 6.37681
270 1FDJ 2FP 0.0002223 0.4002 6.37681
271 3JYN NDP 0.001462 0.41538 6.46154
272 2QCX PF1 0.00333 0.43051 6.46388
273 1XX4 BAM 0.02066 0.41864 6.51341
274 2AE2 NAP 0.0003231 0.44696 6.53846
275 2AE2 PTO 0.0003231 0.44696 6.53846
276 4TMK T5A 0.00113 0.41791 6.57277
277 3ZRR PXG 0.00008371 0.43489 6.66667
278 2C5S AMP 0.001463 0.43399 6.66667
279 1R37 NAD 0.0007316 0.42709 6.66667
280 2V6O FAD 0.01297 0.41041 6.66667
281 2GDZ NAD 0.0006133 0.42414 6.74157
282 1NUS NMN 0.004446 0.41025 6.74603
283 5FIT AP2 0.0002028 0.40281 6.80272
284 1BDB NAD 0.006782 0.42019 6.85921
285 1C3V NDP 0.002637 0.40395 6.93878
286 1WDA BAG 0.002838 0.42232 6.95652
287 4UAL 3FV 0.0002367 0.41077 6.95652
288 1LVL FAD 0.004646 0.40863 6.95652
289 4LSJ LSJ 0.0006836 0.40883 6.97674
290 1NNU NAD 0.007602 0.42271 6.9869
291 1NNU TCT 0.01556 0.41047 6.9869
292 1V7R CIT 0.006083 0.45403 6.98925
293 3BY8 MLT 0.001578 0.45846 7.04225
294 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.006112 0.4091 7.05128
295 2Q2V NAD 0.0005691 0.42953 7.05882
296 4DYO SD4 0.001473 0.43388 7.24638
297 1R27 MGD 0.002593 0.41038 7.24638
298 1G8S MET 0.007769 0.42012 7.3913
299 1RZM PEP 0.002889 0.4274 7.39645
300 1RZM E4P 0.01704 0.41022 7.39645
301 4K30 NLG 0.0094 0.40589 7.5
302 1LC8 33P 0.0001247 0.44255 7.53623
303 2AQJ TRP 0.003723 0.42289 7.53623
304 4DEM YS4 0.009027 0.41978 7.53623
305 2AQJ FAD 0.008558 0.40999 7.53623
306 1YOA FMN 0.02612 0.4284 7.54717
307 1LDM NAD 0.01344 0.40515 7.59878
308 2XK9 XK9 0.0004162 0.43559 7.76398
309 4CMF PXG 0.001445 0.43254 7.76398
310 1H82 GZZ 0.0005182 0.45663 7.82609
311 1H82 FAD 0.0005732 0.45255 7.82609
312 1Y42 TYR 0.003563 0.42358 7.82609
313 3QV9 QV7 0.01339 0.40424 7.82609
314 2IMP NAI 0.02178 0.4037 7.82609
315 4F4S EFO 0.004745 0.41836 7.89474
316 2R40 EPH 0.001414 0.41252 7.89474
317 2R40 20E 0.001153 0.40697 7.89474
318 4CCO OGA 0.0008484 0.44969 8.11594
319 4LHM AZZ 0.001451 0.44615 8.11594
320 4MZ7 DTP 0.0009754 0.41729 8.11594
321 4IOK ADP 0.0009121 0.41368 8.11594
322 4IOK XPO 0.0008478 0.4096 8.11594
323 2E2R 2OH 0.001361 0.41773 8.19672
324 1VQ2 DDN 0.0001647 0.41507 8.29016
325 1WNG SAH 0.0005996 0.40721 8.30189
326 2BTO GTP 0.003728 0.40705 8.33333
327 3T31 FAD 0.0009249 0.44314 8.4058
328 4N02 FNR 0.001616 0.43248 8.4058
329 3Q9T FAY 0.001865 0.41769 8.4058
330 3DJL FAD 0.02183 0.40366 8.4058
331 3T31 DCQ 0.01247 0.40246 8.4058
332 2JGS BTN 0.01187 0.40403 8.46154
333 1BTN I3P 0.00375 0.47265 8.49057
334 2Y7G AAE 0.0009549 0.42085 8.51064
335 1KBI PYR 0.0001111 0.44422 8.69565
336 1KBI FMN 0.0001111 0.44422 8.69565
337 4BCS BTN 0.0003538 0.40117 8.8
338 2NXW TPP 0.0007313 0.4244 8.98551
339 2J07 HDF 0.003235 0.41882 8.98551
340 2J07 FAD 0.003235 0.41882 8.98551
341 3ZZS TRP 0.002745 0.40835 9.23077
342 3ZV6 NAD 0.0004115 0.44436 9.25267
343 3ZV6 4HB 0.0004419 0.44436 9.25267
344 3VPD ANP 0.0002963 0.42055 9.25267
345 1JIL 485 0.0003999 0.41273 9.27536
346 1LCP PLU 0.001675 0.40327 9.27536
347 2R14 TXD 0.002973 0.40217 9.27536
348 2YB9 HA0 0.002725 0.40212 9.27536
349 1UXG FUM 0.004214 0.40517 9.70874
350 1UXG NAD 0.004214 0.40517 9.70874
351 1T0S BML 0.004409 0.44478 10
352 1N9L FMN 0.001309 0.40743 10.0917
353 3WE0 FAD 0.0007961 0.43624 10.4348
354 1WVG CXY 0.0006644 0.41119 10.4348
355 2YPO PHE 0.001751 0.40865 10.4348
356 1AUX AGS 0.0001829 0.41617 10.6109
357 1Q3Q ANP 0.006719 0.41254 10.7246
358 2GJ3 FAD 0.001992 0.40744 10.8333
359 1E4E ADP 0.0005305 0.40552 11.0787
360 2C1Q BTN 0.002445 0.41461 11.1111
361 3GWT 066 0.002344 0.4057 11.3314
362 3KJQ B94 0.0007703 0.43413 11.5789
363 4AXD ANP 0.002033 0.41409 11.5942
364 1GEX PLP HSA 0.000529 0.41989 11.8841
365 1I0Z OXM 0.003269 0.4592 12.6126
366 2HGS ADP 0.0005814 0.41307 13.3333
367 2PR5 FMN 0.00009455 0.44627 13.6364
368 1C1L GAL BGC 0.0003334 0.48989 13.8686
369 3QDT A2G GAL 0.005396 0.44052 13.986
370 1QY1 PRZ 0.0003411 0.41857 14.3678
371 4FR3 0V4 0.01691 0.40426 14.9573
372 4FR3 LYS ARG ARG LYS SEP VAL 0.01698 0.40419 14.9573
373 2VAR ANP 0.0002255 0.42438 15.655
374 1X1T NAD 0.00261 0.43619 15.7692
375 2E1A MSE 0.0003503 0.45916 16
376 2FYU FDN 0.00197 0.4014 16.0494
377 1EZV SMA 0.002044 0.40197 17.5676
378 3UEC ALA ARG TPO LYS 0.01195 0.41745 17.8082
379 3KMZ EQO 0.0008184 0.41525 18.0451
380 2F01 BTQ 0.005384 0.42095 18.1102
381 2VBQ BSJ 0.0002793 0.4416 18.1818
382 1TUV VK3 0.03726 0.40554 18.4211
383 4BMO FMN 0.000667 0.41655 18.4874
384 1Z44 FMN 0.001857 0.41488 19.8225
385 2Q37 3AL 0.002515 0.43579 19.8895
386 1R6W 164 0.000001251 0.47324 20.1863
387 4IAE 1DX 0.0007675 0.44218 21.164
388 1UO5 PIH 0.009956 0.45175 23.5294
389 1SJD NPG 0.00000000003389 0.60648 32.1739
390 2PP3 LGT 0.00004856 0.47345 32.1739
391 3KMT SAH 0.003256 0.40584 36.1345
392 3DGB MUC 0.0000000001634 0.68845 38.5507
393 3UXL CFI 0.000004656 0.55297 38.8406
394 2GGH NLQ 0.00000003769 0.57778 40
395 2QJN KDG 0.0001956 0.40266 41.7391
Pocket No.: 2; Query (leader) PDB : 3DER; Ligand: ALA LYS; Similar sites found: 58
This union binding pocket(no: 2) in the query (biounit: 3der.bio3) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4HZX G39 0.00166 0.41706 1.73913
2 3MMR ABH 0.001432 0.40195 1.73913
3 2AMV BIN 0.008292 0.40167 2.02899
4 1L1Q 9DA 0.0001015 0.42515 2.15054
5 3FW3 GLC 0.04393 0.40765 2.25564
6 1REO FAD 0.00216 0.4131 2.31884
7 2GSD NAD 0.002378 0.40713 2.31884
8 2NLI FMN 0.0002597 0.46122 2.6087
9 3M31 FAD 0.0002314 0.42384 2.6087
10 2YVF NAD 0.007517 0.41049 2.6087
11 2YYJ 4HP 0.01436 0.40909 2.6087
12 2YYJ FAD 0.01436 0.40909 2.6087
13 2TPL HPP 0.001627 0.40016 2.6087
14 2H6B 3C4 0.008684 0.40399 2.8
15 4IMG NGF 0.0006849 0.40008 3.07167
16 2YBQ UP2 0.0008181 0.42416 3.08219
17 2IXB A2G 0.001306 0.41955 3.18841
18 2R7K AMZ 0.01489 0.41365 3.18841
19 2R7K ACP 0.01489 0.41365 3.18841
20 1P1M MET 0.000556 0.40979 3.18841
21 1KOL NAD 0.003844 0.40117 3.18841
22 2NVK FAD 0.002164 0.41517 3.47826
23 2BH9 NAP 0.002845 0.40559 3.47826
24 4IXW IXW 0.01094 0.40016 3.54331
25 1D09 PAL 0.009417 0.42535 3.54839
26 4L6C 0BT 0.0008514 0.40393 3.9604
27 1FIQ FAD 0.0001336 0.44827 4.05797
28 1O7N IND 0.0007692 0.40532 4.12371
29 1OYB HBA 0.0001109 0.41252 4.34783
30 3L0E G58 0.0008464 0.411 4.34783
31 2EWM NAD 0.001809 0.40606 4.41767
32 2UZ2 BTN 0.0001874 0.40471 4.61538
33 1L8N GCW 0.0002131 0.41755 4.63768
34 1A5Z OXM 0.03756 0.40095 4.70219
35 2B82 ADN 0.0001915 0.42086 4.73934
36 1VE3 SAM 0.001836 0.40047 4.84582
37 3OCZ SRA 0.001174 0.41512 4.96183
38 1R6D NAD 0.004821 0.41255 5.04451
39 1TUF AZ1 0.0008741 0.40719 5.21739
40 1EDO NAP 0.001456 0.44108 5.32787
41 1BGQ RDC 0.001047 0.408 5.33333
42 3U7Y FLC 0.03998 0.42152 5.50725
43 4KQL 1SG 0.006274 0.4134 5.50725
44 2HGZ PBF 0.001294 0.40171 5.55556
45 2ZSC BTN 0.0002015 0.40093 5.67376
46 2R5T ANP 0.0007357 0.40594 6.08696
47 3TXO 07U 0.00007275 0.41346 6.37681
48 4QED NAP 0.0007656 0.41707 6.45161
49 3PVT 3HC 0.0007167 0.42734 6.56371
50 1NUS APC 0.004396 0.40341 6.74603
51 2ZX7 ZX7 0.001166 0.41172 6.95652
52 3UR0 SVR 0.002123 0.41843 8.11594
53 2D0V PQQ 0.0006657 0.4001 9.72222
54 2VEZ ACO 0.0004827 0.42218 13.6842
55 4EKV BTN 0.001328 0.41322 14.4654
56 1PL6 572 0.002718 0.40273 14.4928
57 2F01 BTN 0.006486 0.41483 18.1102
58 1Z44 NPO 0.01059 0.45192 19.8225
Pocket No.: 3; Query (leader) PDB : 3DER; Ligand: ALA LYS; Similar sites found: 76
This union binding pocket(no: 3) in the query (biounit: 3der.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MZU TDR 0.003713 0.40799 0.641026
2 3CKZ ZMR 0.005202 0.40821 1.15942
3 4O1M NAD 0.002507 0.40687 1.5873
4 1TLG GAL 0.003766 0.43133 1.6
5 1RP0 AHZ 0.009095 0.41713 1.76056
6 3ALT MLB 0.00182 0.45562 1.91083
7 4Q0A 4OA 0.000633 0.41613 1.98676
8 1XHL NDP 0.002973 0.40693 2.0202
9 1EBG PAH 0.003223 0.40847 2.31884
10 3HU3 AGS 0.01612 0.40371 2.31884
11 4NE2 ADP 0.001344 0.4204 2.39521
12 4FGC PQ0 0.02776 0.40245 2.42424
13 3EE4 MYR 0.001629 0.40034 2.47678
14 1I9G SAM 0.008101 0.40476 2.5
15 1FL2 FAD 0.003499 0.41352 2.6087
16 4LCQ URQ 0.002866 0.40346 2.6087
17 1FS5 TLA 0.0009347 0.41802 2.63158
18 1JCM 137 0.002346 0.40648 2.7027
19 3PNL ADP 0.0007188 0.41407 2.8436
20 2YBQ SAH 0.0007407 0.40966 3.08219
21 3V91 UPG 0.001486 0.43402 3.09278
22 3LPF Z77 0.0003699 0.43101 3.18841
23 1H6C SIN 0.007395 0.40065 3.18841
24 3ZEI AWH 0.002676 0.40449 3.22581
25 3FC2 IBI 0.002858 0.40489 3.28358
26 4QEK GLC 0.01209 0.40323 3.32226
27 2J5S KTA 0.0008521 0.40379 3.42205
28 3BK2 U5P 0.0002648 0.40272 3.76812
29 3NGU ADP 0.002316 0.40942 3.97351
30 2CKM AA7 0.004808 0.40946 4.05797
31 2QF7 AGS 0.0018 0.40747 4.05797
32 4QDF 30Q 0.002309 0.40452 4.05797
33 1FIQ MTE 0.003438 0.40209 4.05797
34 1V0L XIF XYP 0.01669 0.4113 4.15335
35 4A3R CIT 0.0004005 0.47033 4.34783
36 2PTZ PAH 0.001314 0.41413 4.34783
37 1QJC PNS 0.01371 0.40132 4.43038
38 1DBT U5P 0.001846 0.40042 4.60251
39 3H86 AP5 0.00663 0.41332 4.6875
40 3T2W BTN 0.0001174 0.40513 4.91803
41 3QTP 2PG 0.0001807 0.42321 4.92754
42 2HV8 GTP 0.002364 0.40023 5.23256
43 2HW1 ANP 0.001634 0.4003 5.7047
44 2B4Q NAP 0.003726 0.40087 5.7971
45 1B09 PC 0.02043 0.40026 5.82524
46 1EP2 FAD 0.00169 0.40346 6.10932
47 3FPZ AHZ 0.006503 0.42747 6.13497
48 1RKD ADP 0.003126 0.40616 6.14887
49 1RKD RIB 0.003126 0.40616 6.14887
50 4E28 0MZ 0.009454 0.40908 6.46154
51 4OJ8 AKG 0.001016 0.40514 6.48464
52 2YLN CYS 0.02173 0.40851 6.71378
53 1AJ0 PH2 0.008577 0.40509 6.73759
54 2MSB NAG BMA MAN MAN MAN MAN MAN 0.003435 0.44673 7.82609
55 4L2I NAD 0.02636 0.40051 7.98479
56 1SAY PYR 0.04588 0.40567 8.03324
57 1TU3 GNP 0.001792 0.40595 8.18713
58 4G1V FAD 0.002891 0.40189 8.69565
59 3T1A 5MA 0.0009677 0.40218 8.98551
60 1J5P NAD 0.001494 0.41178 9.09091
61 4B4D FAD 0.0007982 0.41061 9.16031
62 4I9A NCN 0.002675 0.4045 10.4167
63 2BJK NAD 0.00488 0.41838 11.0145
64 3C2O NTM 0.03519 0.40256 12.585
65 4D7M TDC 0.002568 0.40218 13.3641
66 2VEZ G6P 0.002764 0.40539 13.6842
67 1NVV GNP 0.01268 0.40369 15.0602
68 1QM5 PLP 0.006633 0.42851 15.6522
69 1QM5 GLC GLC GLC PO4 SGC GLC 0.003957 0.42851 15.6522
70 1S8F GDP 0.001696 0.40835 15.8192
71 3AHC TPP 0.001134 0.41889 15.942
72 1XLI GLT 0.003116 0.40747 17.3913
73 1IYE PGU 0.0002102 0.44594 17.7994
74 1EC9 XYH 0.000107 0.48564 17.971
75 2DW7 SRT 0.000123 0.51307 23.7681
76 2HXT EHM 0.0002188 0.43856 30.4348
Pocket No.: 4; Query (leader) PDB : 3DER; Ligand: ALA LYS; Similar sites found: 33
This union binding pocket(no: 4) in the query (biounit: 3der.bio3) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2OWZ F6P 0.0008223 0.4314 1.50602
2 2A0W DIH 0.001442 0.41623 1.7301
3 3TY3 GGG 0.02327 0.40198 2.02899
4 3IL6 B83 0.0006454 0.406 2.18069
5 4FHD 0TT 0.005918 0.4138 2.31884
6 3PUR 2HG 0.02247 0.40754 2.31884
7 1ECC PCP 0.001099 0.40591 2.31884
8 4QVH COA 0.001351 0.40877 2.89855
9 4NTD FAD 0.00265 0.41229 2.94118
10 1HFS L04 0.003017 0.40325 3.125
11 1BUC CAA 0.001025 0.40866 3.47826
12 1YBH P22 0.002998 0.40204 3.47826
13 1SOW NAD 0.003125 0.40273 3.65854
14 2YGN PCF 0.001143 0.41348 3.84615
15 1GSA GSH 0.00467 0.40664 4.11392
16 3LIH RAF 0.0003206 0.41231 4.34783
17 4M5P FMN 0.001097 0.40221 4.34783
18 3BW2 FMN 0.0004829 0.42767 4.63768
19 4AG5 ADP 0.03174 0.40009 4.63768
20 1RYD NDP 0.002092 0.4148 4.92754
21 3I8P 840 0.003494 0.40057 5.50725
22 1SJW NGV 0.0009412 0.42107 5.55556
23 2AEB ABH 0.003064 0.40489 5.90062
24 4JWX 1N4 0.008327 0.4081 6.42857
25 4OJ8 2TQ 0.001315 0.40154 6.48464
26 2OD9 A1R NCA 0.0006592 0.42308 7.14286
27 2NU8 COA 0.006145 0.40237 7.24638
28 1CSI CMX 0.001455 0.4226 7.53623
29 1CSI OAA 0.001455 0.4226 7.53623
30 4F8L GAL 0.02975 0.42523 7.58621
31 4EPM AMP 0.001527 0.40123 8.4058
32 1ZK4 AC0 0.007772 0.42127 13.5458
33 1ZK4 NAP 0.007772 0.42127 13.5458
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