Receptor
PDB id Resolution Class Description Source Keywords
3BRE 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF P.AERUGINOSA PA3702 PSEUDOMONAS AERUGINOSA PROTEIN-NUCLEOTIDE COMPLEX SIGNALING PROTEIN
Ref.: PHOSPHORYLATION-INDEPENDENT REGULATION OF THE DIGUA CYCLASE WSPR. PLOS BIOL. V. 6 E67 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C2E A:360;
A:361;
B:360;
B:361;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
690.411 C20 H24 N10 O14 P2 c1nc2...
MG A:359;
B:359;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BRE 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF P.AERUGINOSA PA3702 PSEUDOMONAS AERUGINOSA PROTEIN-NUCLEOTIDE COMPLEX SIGNALING PROTEIN
Ref.: PHOSPHORYLATION-INDEPENDENT REGULATION OF THE DIGUA CYCLASE WSPR. PLOS BIOL. V. 6 E67 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3BRE - C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3BRE - C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3BRE - C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
2 3I5C - C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: C2E; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 PCG 1 0.986111
2 35G 1 0.986111
3 C2E 1 1
4 4BW 0.806818 1
5 1YD 0.806818 1
6 5GP 5GP 0.743902 0.958904
7 4UR 0.731959 1
8 6SW 0.627907 0.944444
9 1YC 0.616162 0.972222
10 6J7 0.58427 0.934211
11 2BA 0.534091 0.916667
12 CMP 0.534091 0.902778
13 GMP 0.53012 0.828947
14 1SY 0.495575 1
15 SGP 0.483871 0.825
16 6SZ 0.483871 0.916667
17 3GP 0.478261 0.92
18 1OR 0.474747 0.741176
19 5GP 0.468085 0.933333
20 G 0.468085 0.933333
21 7CH 0.467391 0.888889
22 6SX 0.462366 0.861111
23 6JR 0.457944 0.944444
24 G2R 0.457143 0.886076
25 GPX 0.451923 0.894737
26 GP3 0.44898 0.947368
27 2GP 0.446809 0.907895
28 GDP BEF 0.445545 0.851852
29 GDP 0.444444 0.921053
30 GP2 0.444444 0.886076
31 GNH 0.44 0.909091
32 P2G 0.4375 0.881579
33 G2P 0.436893 0.886076
34 GDP MG 0.435644 0.873418
35 ALF 5GP 0.431373 0.841463
36 GTP 0.431373 0.921053
37 GMV 0.431373 0.897436
38 G1R 0.427184 0.909091
39 GCP 0.427184 0.897436
40 GNP 0.423077 0.897436
41 GSP 0.423077 0.875
42 G3D 0.423077 0.933333
43 GDP AF3 0.420561 0.841463
44 BEF GDP 0.419048 0.841463
45 GTP MG 0.419048 0.873418
46 GCP G 0.415094 0.884615
47 G4P 0.415094 0.933333
48 GAV 0.415094 0.886076
49 P1G 0.414141 0.87013
50 Y9Z 0.410714 0.833333
51 G G 0.409091 0.934211
52 GDP ALF 0.407407 0.841463
53 N6R 0.40708 0.831169
54 N6S 0.40708 0.831169
55 G3A 0.403509 0.947368
56 YGP 0.401786 0.876543
57 G5P 0.4 0.947368
58 0O2 0.4 0.933333
59 GPG 0.4 0.935065
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BRE; Ligand: C2E; Similar sites found: 50
This union binding pocket(no: 1) in the query (biounit: 3bre.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RIY NAD 0.02299 0.41337 1.0989
2 1NHX PEP 0.01774 0.43162 1.39665
3 1NHX FTB 0.01835 0.43162 1.39665
4 1W6U HXC 0.032 0.40422 1.67598
5 1EZ0 NAP 0.00772 0.43886 1.95531
6 5T9F TYR 0.04681 0.41104 2.21402
7 4NS3 NAD 0.005962 0.43667 2.23464
8 4NKW PLO 0.0152 0.41195 2.23464
9 5F7J ADE 0.02544 0.40255 2.5
10 1O9J NAD 0.03721 0.40184 2.51397
11 2OD9 A1R NCA 0.01312 0.4229 2.5974
12 1LK7 DER 0.009515 0.41377 2.62009
13 3S7O LBV 0.04638 0.40011 2.62391
14 5IXJ THR 0.02108 0.42547 2.7933
15 3IWJ NAD 0.00916 0.42354 3.07263
16 4A0M NAD 0.02272 0.42059 3.07263
17 5ESO ISC 0.03705 0.41073 3.07263
18 5ESO TDP 0.03705 0.41073 3.07263
19 4I8P NAD 0.03982 0.40656 3.07263
20 2PWY SAH 0.02898 0.40386 3.10078
21 3L2B B4P 0.02438 0.42469 3.26531
22 3UBM COA 0.01384 0.41283 3.35196
23 3AB3 GDP 0.02794 0.40421 3.35196
24 3NYQ MCA 0.04898 0.40022 3.63128
25 1ZDT PEF 0.006061 0.44775 3.73444
26 5KY9 GDP 0.01148 0.4116 3.94366
27 4YWV SSN 0.009249 0.44417 4.18994
28 3B82 NAD 0.001873 0.46891 4.46927
29 1W0J ADP BEF 0.02281 0.41059 4.46927
30 3O0G 3O0 0.02555 0.4003 4.69799
31 4LH0 GLV 0.007891 0.45666 4.7486
32 1YZQ GNP 0.0365 0.40185 5.29412
33 4WZ8 3W7 0.006983 0.45951 5.30726
34 1VGR COA 0.02606 0.41866 5.30726
35 2VJM COA 0.02236 0.41224 5.30726
36 2Y5D NAP 0.01469 0.42547 5.58659
37 5BSH PRO 0.01868 0.42273 6.13718
38 3MPI GRA 0.001557 0.51524 6.14525
39 5G5G FAD 0.01598 0.4381 6.14525
40 2AOT 2PM 0.01424 0.40663 6.16438
41 3EYA TDP 0.01292 0.42585 6.70391
42 1SAY PYR 0.03472 0.41245 6.70391
43 1NM5 NAP 0.0494 0.40941 7.26257
44 3RWO GDP 0.007524 0.43222 7.56757
45 1F76 FMN 0.02231 0.41235 8.03571
46 5FI4 5XV 0.03091 0.40757 8.66873
47 2VBF TPP 0.01768 0.42099 8.93855
48 2PYY GLU 0.02094 0.4027 10.5263
49 1N8V BDD 0.0316 0.41338 11.6071
50 4URS C2E 0.0002963 0.47906 48.9362
Pocket No.: 2; Query (leader) PDB : 3BRE; Ligand: C2E; 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: 3bre.bio1) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3BRE; Ligand: C2E; 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: 3bre.bio1) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3BRE; Ligand: C2E; 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: 3bre.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3BRE; Ligand: C2E; Similar sites found: 483
This union binding pocket(no: 5) in the query (biounit: 3bre.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GNK ATP 0.003296 0.43304 None
2 1PTR PRB 0.001135 0.41834 None
3 2OFD NGA 0.003996 0.40611 None
4 2OFE NAG 0.005404 0.40071 None
5 1Z4V DAN 0.002757 0.42752 1.11732
6 1L1Q 9DA 0.01252 0.40906 1.11732
7 3RKR NAP 0.009966 0.4034 1.14504
8 4LSJ LSJ 0.004224 0.43203 1.16279
9 1I0Z OXM 0.01187 0.40564 1.2012
10 4DQ2 BTX 0.003942 0.44441 1.21951
11 2C7G FAD 0.007093 0.45683 1.39665
12 2C7G ODP 0.006857 0.45683 1.39665
13 2RDT 2RD 0.01316 0.44921 1.39665
14 2ZWS PLM 0.0008097 0.48249 1.67598
15 1H82 GZZ 0.005354 0.4658 1.67598
16 1H82 FAD 0.004855 0.4658 1.67598
17 1P9B IMO 0.001046 0.46473 1.67598
18 1KBI PYR 0.004583 0.43852 1.67598
19 1KBI FMN 0.004583 0.43852 1.67598
20 1KBJ FMN 0.005792 0.43236 1.67598
21 2R14 FMN 0.008004 0.42736 1.67598
22 2R14 TXD 0.01381 0.42153 1.67598
23 1A59 COA 0.008157 0.41556 1.67598
24 1P9B GDP 0.00771 0.4147 1.67598
25 1CR1 TTP 0.04083 0.42505 1.68919
26 1Z34 2FD 0.006301 0.45635 1.70213
27 2JL1 NAP 0.01683 0.40659 1.74216
28 2YC5 6BC 0.01121 0.43039 1.75439
29 4NTD FAD 0.01674 0.4251 1.76471
30 1WUR 8DG 0.004379 0.43308 1.81818
31 2VBQ BSJ 0.01338 0.42563 1.81818
32 1V35 NAI 0.01937 0.42481 1.82371
33 2QDT I38 0.01302 0.40266 1.85874
34 4G10 GSH 0.007817 0.41239 1.88679
35 4C12 ADP 0.0008992 0.49908 1.95531
36 1D6H COA 0.002162 0.47301 1.95531
37 1YBH FAD 0.002447 0.46632 1.95531
38 1WL4 COA 0.007756 0.446 1.95531
39 1YBH P22 0.00116 0.44104 1.95531
40 1YBH CIE 0.002783 0.43424 1.95531
41 3MMR ABH 0.02499 0.42868 1.95531
42 3ZY6 GFB 0.007479 0.42087 1.95531
43 2QS8 MET 0.01402 0.41875 1.95531
44 4KXV TDP DX5 0.02269 0.41871 1.95531
45 1QF5 GDP 0.03498 0.41706 1.95531
46 1QF5 RPL 0.03498 0.41706 1.95531
47 4Q3R XA2 0.01281 0.41651 1.95531
48 3UR0 SVR 0.03354 0.41564 1.95531
49 1GEX PLP HSA 0.0197 0.40789 1.96629
50 3OZG SSI 0.006042 0.4173 2
51 2R42 FPS 0.01511 0.4054 2.02532
52 3RHZ UDP 0.008572 0.4146 2.0649
53 2OWZ F6P 0.001636 0.44441 2.10843
54 2Q8M AMP 0.004027 0.42041 2.10843
55 2Q8M FBP 0.01358 0.40185 2.10843
56 2RHW C0E 0.02088 0.43654 2.12014
57 1B8U OAA 0.006887 0.43697 2.12766
58 2WCV FUC 0.008408 0.40163 2.14286
59 2PT9 S4M 0.004221 0.43867 2.18069
60 1NX4 AKG 0.00438 0.40777 2.1978
61 3I28 34N 0.002123 0.47623 2.23464
62 3ULK NDP 0.001403 0.45539 2.23464
63 2Q2V NAD 0.006614 0.439 2.23464
64 1H6C NDP 0.01759 0.42308 2.23464
65 1H6C SIN 0.02403 0.41843 2.23464
66 2FWP CIT 0.01894 0.41507 2.23464
67 1RYD NDP 0.02648 0.4145 2.23464
68 4M51 BEZ 0.007258 0.40825 2.23464
69 1Z45 UPG 0.01606 0.40244 2.23464
70 1DUC DUD 0.005161 0.42721 2.23881
71 3MD0 GDP 0.0005271 0.41283 2.25352
72 1FL2 FAD 0.003316 0.46101 2.25806
73 3RO7 TDR 0.0008524 0.47374 2.26415
74 1RKD ADP 0.01814 0.41711 2.26537
75 1RKD RIB 0.01814 0.41711 2.26537
76 2X61 CH 0.04089 0.40717 2.32558
77 1RYI GOA 0.006004 0.45142 2.35602
78 1RYI FAD 0.00587 0.45001 2.35602
79 4HA6 FAD 0.03287 0.41526 2.3622
80 4BCS BTN 0.002519 0.43396 2.4
81 4LNL PLG 0.008557 0.40853 2.4024
82 4E1N TQX 0.00005196 0.51995 2.40964
83 4E1M TQ2 0.0002173 0.413 2.40964
84 1T0S BML 0.00196 0.43368 2.42424
85 1SOW NAD 0.005735 0.44071 2.43902
86 1OTH PAO 0.01036 0.42861 2.49221
87 2C31 ADP 0.006711 0.46656 2.51397
88 2V6O FAD 0.008816 0.46163 2.51397
89 2C31 TZD 0.01382 0.45102 2.51397
90 3ZPG 5GP 0.003306 0.43164 2.51397
91 1FP1 HCC 0.00972 0.41217 2.51397
92 1LC8 33P 0.02425 0.40506 2.51397
93 1JA9 PYQ 0.03141 0.40233 2.55474
94 4A3R CIT 0.03812 0.40489 2.55814
95 1QRD FAD 0.003118 0.44146 2.5641
96 2WQP WQP 0.00687 0.43042 2.5788
97 3ZEI AWH 0.0243 0.40757 2.58065
98 3TKA CTN 0.001654 0.46378 2.59366
99 4W6Z 8ID 0.0053 0.44587 2.59366
100 4W6Z ETF 0.001437 0.40563 2.59366
101 1ML4 PAL 0.006042 0.42921 2.5974
102 2QQF A1R 0.01376 0.41508 2.5974
103 3MAG 3MA 0.01931 0.40302 2.60586
104 3PC3 P1T 0.004789 0.42957 2.65655
105 1Z44 NPO 0.02859 0.40242 2.66272
106 3MCT SAH 0.009708 0.41576 2.6936
107 1DSS NAD 0.01369 0.41519 2.7027
108 3W54 RNB 0.003038 0.42811 2.73556
109 1NME 159 0.005583 0.41661 2.73973
110 1B74 DGN 0.0002419 0.43209 2.75591
111 3SJ7 NDP 0.03133 0.40238 2.77778
112 1BUC CAA 0.001771 0.45432 2.7933
113 1Q3Q ANP 0.02627 0.42892 2.7933
114 3SSO SAH 0.005544 0.42672 2.7933
115 5T0A A3P 0.002723 0.42649 2.7933
116 1VBH PEP 0.002084 0.42119 2.7933
117 3QO8 SSA 0.006465 0.41601 2.7933
118 1PGP 6PG 0.02679 0.41328 2.7933
119 4K5S FAD 0.02351 0.41288 2.7933
120 4K5S PM0 0.04383 0.41288 2.7933
121 1LCP PLU 0.01948 0.40812 2.7933
122 3BS8 PMP 0.01105 0.40145 2.7933
123 4CMF PXG 0.02977 0.42204 2.79503
124 2H6B 3C4 0.0007549 0.47292 2.8
125 1XMV ADP 0.004372 0.46422 2.80899
126 1LYX PGA 0.009922 0.40572 2.82258
127 2D37 FMN 0.002175 0.45343 2.84091
128 2D37 NAD 0.002345 0.45343 2.84091
129 2E2R 2OH 0.005202 0.44511 2.86885
130 1TU3 GNP 0.003749 0.44103 2.92398
131 1ZUW DGL 0.006244 0.40713 2.94118
132 1R6D DAU 0.0299 0.42338 2.96736
133 1R6D NAD 0.04728 0.414 2.96736
134 3FC2 IBI 0.01974 0.41303 2.98507
135 4B9E FAH 0.0002154 0.46696 2.99003
136 4FR3 0V4 0.01019 0.45668 2.99145
137 4FR3 LYS ARG ARG LYS SEP VAL 0.0356 0.42868 2.99145
138 4W97 UCA 0.01945 0.40673 3
139 3S2Y FMN 0.006811 0.41502 3.01508
140 2DTX BMA 0.00009358 0.53442 3.0303
141 2AG8 NAP 0.009613 0.41595 3.04183
142 4LTN FMN 0.01122 0.43816 3.04569
143 4LTN NAI 0.01314 0.43816 3.04569
144 3OND NAD 0.002139 0.47698 3.07263
145 3OND ADN 0.002139 0.47698 3.07263
146 2ZJ3 G6P 0.0009625 0.45886 3.07263
147 2PTZ PAH 0.002288 0.43578 3.07263
148 2AQJ TRP 0.02449 0.43112 3.07263
149 2AQJ FAD 0.02601 0.43043 3.07263
150 4MZ7 DGT 0.009749 0.4274 3.07263
151 1OLS TDP 0.02757 0.41985 3.07263
152 2YHW BM3 0.01463 0.41914 3.07263
153 1P72 ADP 0.02779 0.40719 3.07263
154 1X1T NAD 0.01149 0.45458 3.07692
155 1TDF NAP 0.0004295 0.52762 3.16456
156 1TDF FAD 0.0002062 0.52583 3.16456
157 1N6B DMZ 0.009949 0.43497 3.17125
158 2H6T IVA VAL VAL STA ALA STA 0.01008 0.40956 3.23529
159 1BDB NAD 0.03479 0.42973 3.2491
160 4IZC 1GZ 0.04075 0.41484 3.27273
161 1PR9 NAP 0.01262 0.42573 3.27869
162 3D3W NAP 0.02886 0.40642 3.27869
163 2D4N DUP 0.01995 0.4055 3.28947
164 3BAZ NAP 0.004269 0.43844 3.3033
165 4UOH ADP 0.005609 0.40911 3.31126
166 3K3K A8S 0.01364 0.4074 3.31754
167 4I71 AGV 0.003822 0.43019 3.33333
168 2CKM AA7 0.001812 0.47471 3.35196
169 2RGH FAD 0.005047 0.4522 3.35196
170 2XDQ MGX 0.002412 0.43804 3.35196
171 4TSK NDP 0.04353 0.41777 3.35196
172 4IVG ANP 0.01528 0.41005 3.35196
173 1UBY DMA 0.01028 0.40918 3.35196
174 3LIH RAF 0.01744 0.40084 3.35196
175 4U9W COA 0.0161 0.40054 3.38164
176 1YOE RIB 0.02542 0.40665 3.41615
177 2OI2 DP6 0.005094 0.41601 3.42466
178 3IL6 B83 0.01711 0.40297 3.42679
179 2HMT NAI 0.03518 0.41694 3.47222
180 1C4U IH1 0.01313 0.40724 3.4749
181 2V5E SCR 0.005905 0.42835 3.5
182 4BAS GNP 0.01227 0.41118 3.51759
183 1ZK4 AC0 0.04613 0.42633 3.58566
184 1ZK4 NAP 0.04613 0.42633 3.58566
185 1DXY NAD 0.01933 0.40964 3.6036
186 2QA1 FAD 0.003967 0.45185 3.63128
187 1KOL NAD 0.00648 0.44282 3.63128
188 1QPB TPP 0.004783 0.43767 3.63128
189 4QDC ASD 0.009282 0.42508 3.63128
190 1JQI FAD 0.02334 0.41616 3.63128
191 1UKW FAD 0.02785 0.41344 3.63128
192 3NYQ AMP 0.02525 0.4114 3.63128
193 3JDW ORN 0.0115 0.40502 3.63128
194 4M2K PLP 0.008558 0.40131 3.63128
195 1T10 F6P 0.003362 0.40073 3.63128
196 1ZGA SAH 0.0005555 0.46018 3.64146
197 2PJL 047 0.03603 0.40454 3.64372
198 1ZFJ IMP 0.0156 0.43117 3.66599
199 4AF5 CIT 0.005149 0.40157 3.68421
200 3IOI 1GW 0.009027 0.43143 3.69128
201 1Q6O LG6 0.007528 0.41311 3.7037
202 1ZJ6 G3D 0.0003153 0.40246 3.74332
203 1UXG NAD 0.0002584 0.51201 3.8835
204 1UXG FUM 0.0002584 0.51201 3.8835
205 4RJK PYR 0.00005552 0.54247 3.91061
206 3MB5 SAM 0.01866 0.43216 3.91061
207 3LZW NAP 0.02359 0.43194 3.91566
208 3LZW FAD 0.03246 0.41116 3.91566
209 3VPQ GSH 0.004558 0.40705 3.92157
210 1PL6 572 0.009862 0.43079 3.93258
211 1PL6 NAD 0.006225 0.42617 3.93258
212 3IB8 AMP 0.002188 0.43431 3.93939
213 1G6O ADP 0.01756 0.4102 3.93939
214 3LM9 FRU 0.02017 0.406 3.97351
215 4AIG FLX 0.006882 0.40792 3.9801
216 2DWU DGL 0.0009988 0.44092 3.98551
217 1KGQ NPI 0.03157 0.43324 4.0146
218 2CSN CKI 0.006482 0.43012 4.0404
219 1T8U A3P 0.009112 0.41525 4.04412
220 1E7S NAP 0.006951 0.43678 4.04984
221 1HDR NAD 0.00182 0.48132 4.09836
222 1GSA GSH 0.02698 0.41778 4.11392
223 1GSA ADP 0.04744 0.41043 4.11392
224 2XNJ FAD 0.005268 0.40745 4.13534
225 4DL8 UMP AF3 PO4 0.009471 0.4145 4.13793
226 3B1F NAD 0.0138 0.41051 4.13793
227 1VPM COA 0.00391 0.437 4.14201
228 2BNF UTP 0.007818 0.44103 4.14938
229 2BNE U5P 0.03387 0.40583 4.14938
230 1WNG SAH 0.01428 0.4065 4.15094
231 1RM4 NDP 0.03375 0.42468 4.1543
232 3H86 AP5 0.04614 0.40991 4.16667
233 3CH5 GDP 0.03191 0.40655 4.16667
234 1NN5 ANP 0.008673 0.42978 4.18605
235 1NN5 2DT 0.008673 0.42978 4.18605
236 1ZK7 FAD 0.007443 0.44864 4.18994
237 4NES UD1 0.002225 0.44062 4.18994
238 1Q7E MET 0.006335 0.43205 4.18994
239 1QS8 IVA VAL VAL STA ALA STA 0.01052 0.41585 4.25532
240 3WBF NAP 0.003496 0.44683 4.2623
241 3WBF API 0.004514 0.44683 4.2623
242 2J7T 274 0.01689 0.41497 4.30464
243 4LN7 1ZQ 0.01628 0.40032 4.30622
244 2BGM NAJ 0.03101 0.42527 4.31655
245 2HW1 ANP 0.001183 0.45684 4.36242
246 2HW1 FRU 0.0009398 0.43558 4.36242
247 4CS4 AXZ 0.003088 0.46547 4.37956
248 4CS4 ANP 0.003854 0.4547 4.37956
249 3BLI PYR 0.003765 0.40009 4.45104
250 1SAZ ACP 0.01158 0.45662 4.46927
251 2XVE FAD 0.02938 0.42898 4.46927
252 2NLI LAC 0.03824 0.41659 4.46927
253 2NLI FMN 0.03824 0.41659 4.46927
254 4N4J HG1 0.04337 0.40636 4.46927
255 1EYQ NAR 0.003754 0.41652 4.5045
256 1GAD NAD 0.001178 0.46569 4.54545
257 4DVE BTN 0.005697 0.41144 4.54545
258 1SS4 CIT 0.0009177 0.48562 4.57516
259 1SS4 GSH 0.00199 0.46656 4.57516
260 4B4D FAD 0.00866 0.418 4.58015
261 1P9P SAH 0.002426 0.44466 4.5977
262 3EE4 MYR 0.005196 0.42798 4.64396
263 1QB7 ADE 0.00786 0.40545 4.66102
264 1T0I FMN 0.01654 0.40186 4.71204
265 1MDZ PLP 0.0008888 0.47875 4.7486
266 1M7Y PPG 0.001617 0.46382 4.7486
267 1V9N NDP 0.008414 0.43287 4.7486
268 3WE0 FAD 0.02614 0.42016 4.7486
269 2ZB3 NDP 0.01846 0.41316 4.7486
270 1GPJ CIT 0.002776 0.41262 4.7486
271 3B96 FAD 0.03404 0.40922 4.7486
272 2YBQ UP2 0.003295 0.45683 4.79452
273 2FFC U5P 0.005149 0.42444 4.81586
274 3HF3 FMN 0.001817 0.45033 4.87106
275 2YK7 CSF 0.002552 0.43996 4.90798
276 3HY3 10F 0.003199 0.44095 4.92611
277 1G7V PAI 0.02246 0.41987 4.92958
278 4C1K PEP 0.006191 0.4045 4.96183
279 3T31 DCQ 0.00261 0.47929 5.02793
280 3T31 FAD 0.00243 0.47929 5.02793
281 2YFT DQR 0.0007286 0.45754 5.02793
282 1H2B NAJ 0.003113 0.45444 5.02793
283 3V1U NAD 0.005202 0.4345 5.02793
284 4FDV 0UK 0.01504 0.42097 5.02793
285 1JIL 485 0.006895 0.42067 5.02793
286 2RCN GDP 0.009688 0.40155 5.02793
287 1M1B SPV 0.006665 0.40017 5.08475
288 9LDT NAD 0.001664 0.46462 5.12048
289 9LDB NAD 0.001691 0.4643 5.12048
290 2VHJ ADP 0.004108 0.43073 5.13595
291 1OFH ADP 0.001514 0.45908 5.16129
292 2PY4 DUP 0.04295 0.40656 5.17241
293 1KHT AMP 0.003094 0.42009 5.20833
294 3PNL ADP 0.01673 0.40671 5.21327
295 3BL6 FMC 0.0008567 0.459 5.21739
296 1WGC SIA GAL BGC 0.0003044 0.49143 5.26316
297 2WGC SIA GAL BGC 0.001458 0.46933 5.26316
298 1D3V ABH 0.02001 0.40758 5.26316
299 2AEB ABH 0.0216 0.40604 5.2795
300 2YPO PHE 0.001534 0.46488 5.30726
301 3TN7 NJP 0.005397 0.4407 5.30726
302 1DLJ NAI 0.01567 0.43594 5.30726
303 4PLG OXM 0.009772 0.43535 5.30726
304 4PLG NAI 0.009772 0.43535 5.30726
305 3BK2 U5P 0.002949 0.42626 5.30726
306 1DLJ UGA 0.0349 0.41858 5.30726
307 1F5F DHT 0.002265 0.43818 5.36585
308 2G86 UMP 0.03728 0.41642 5.37975
309 2HVW DCP 0.01089 0.40395 5.43478
310 1ZCH FMN 0.02043 0.40116 5.4902
311 2HGZ PBF 0.001331 0.45998 5.55556
312 4OYA 1VE 0.02332 0.44913 5.58659
313 2WE5 ADP 0.007801 0.41028 5.58659
314 3F3E LEU 0.03464 0.40885 5.58659
315 2JBZ COA 0.03329 0.41699 5.59441
316 4NAT 2W5 0.01104 0.4328 5.625
317 3BY8 MLT 0.000338 0.45859 5.6338
318 1JUV NDP 0.003752 0.44253 5.69948
319 3MBG FAD 0.007108 0.42828 5.7554
320 1FMB HYB 0.01015 0.40305 5.76923
321 2QXX TTP 0.01745 0.4212 5.78947
322 1C1L GAL BGC 0.003293 0.41626 5.83942
323 4FWE FAD 0.0004666 0.50537 5.86592
324 4AF0 IMP 0.003076 0.46923 5.86592
325 1KC7 PPR 0.00009421 0.46295 5.86592
326 4AF0 MOA 0.001677 0.4554 5.86592
327 1OWB NAD 0.006405 0.43657 5.86592
328 1WVG APR 0.0285 0.40047 5.86592
329 1J5P NAD 0.004972 0.43833 5.92885
330 1POC GEL 0.006927 0.41675 5.97015
331 4NE2 SH2 0.001159 0.47723 5.98802
332 4NE2 ADP 0.001023 0.47723 5.98802
333 3RFV 15L 0.005335 0.43548 5.99251
334 3RFV NAI 0.02084 0.40943 5.99251
335 1REO FAD 0.01202 0.43301 6.14525
336 2BJK NAD 0.02543 0.42726 6.14525
337 2BLE 5GP 0.03509 0.42381 6.14525
338 3MPI FAD 0.03825 0.40482 6.14525
339 1U7Z PMT 0.009886 0.43074 6.19469
340 1KDK DHT 0.008008 0.42122 6.21469
341 3ZF8 GDP 0.0009773 0.44422 6.22951
342 1MK1 APR 0.009233 0.41842 6.28019
343 3L0E G58 0.01969 0.40927 6.32411
344 1C0I FAD 0.0009537 0.49229 6.33609
345 1C0I BE2 0.0009537 0.49229 6.33609
346 3U5S FAD 0.003906 0.43355 6.34921
347 4E13 NAD 0.008394 0.41861 6.36042
348 1L2T ATP 0.02435 0.40079 6.38298
349 1XHL NDP 0.03771 0.402 6.39731
350 3O55 FAD 0.0052 0.43451 6.4
351 1Q3P GLU ALA GLN THR ARG LEU 0.003368 0.42843 6.42202
352 1R27 MGD 0.01209 0.42987 6.42458
353 2CE7 ADP 0.006928 0.41253 6.42458
354 1Y4Z PCI 0.001798 0.40957 6.42458
355 3PNA CMP 0.0006757 0.44811 6.49351
356 3M0J OAF 0.01747 0.41673 6.51466
357 1IM8 SAI 0.01669 0.40514 6.55738
358 1OAA OAA 0.03487 0.41399 6.56371
359 1BTN I3P 0.00001482 0.57871 6.60377
360 1UWZ THU 0.002233 0.43625 6.61765
361 1F7K UMP 0.005909 0.42965 6.61765
362 1RRC ADP 0.01868 0.40452 6.64452
363 1CBF SAH 0.0136 0.40182 6.66667
364 1Q0H NDP 0.004468 0.46125 6.70391
365 4O1M NAD 0.01332 0.42105 6.70391
366 1I1Q TRP 0.002856 0.42156 6.77083
367 3W8S GSH 0.003307 0.41285 6.79612
368 1M5B BN1 0.01254 0.44512 6.84411
369 3NKS FAD 0.002613 0.46277 6.98324
370 3NKS ACJ 0.0008067 0.45561 6.98324
371 3LPF Z77 0.003091 0.44641 6.98324
372 1VJO PLP 0.0123 0.40373 6.98324
373 1UAY ADN 0.002388 0.43266 7.02479
374 2VAR ANP 0.01292 0.41016 7.02875
375 1Y2W NAG 0.005579 0.40013 7.04225
376 4IS0 GDS 0.01649 0.40007 7.05394
377 3B20 NAD 0.003463 0.44261 7.07965
378 2XK9 XK9 0.007266 0.43822 7.14286
379 2Q37 3AL 0.001106 0.4171 7.18232
380 2P8O BVA 0.002996 0.43283 7.2165
381 3N5O GSH 0.00647 0.42003 7.23404
382 4AMV F6R 0.0003022 0.47426 7.26257
383 1MOQ GLP 0.0007058 0.46273 7.26257
384 3VKX T3 0.007362 0.42029 7.27969
385 3R35 4CO 0.001153 0.47208 7.28477
386 4KQI RBZ 0.0001927 0.50841 7.30337
387 4KQI NIO 0.0001927 0.50841 7.30337
388 2AE2 PTO 0.01729 0.42631 7.30769
389 2AE2 NAP 0.01729 0.42631 7.30769
390 2QLX RM4 0.005093 0.40815 7.40741
391 1IS3 LAT 0.002321 0.40804 7.40741
392 2WIC GNP 0.003489 0.44007 7.49064
393 1VDC FAD 0.003869 0.46433 7.50751
394 1X92 M7P 0.002695 0.42794 7.53769
395 2EFJ SAH 0.004742 0.42403 7.5419
396 1B55 4IP 0.009172 0.40721 7.69231
397 1V2X SAM 0.003097 0.4362 7.73196
398 4KCF FMN 0.0008561 0.45448 7.82123
399 4KCF AKM 0.003326 0.44018 7.82123
400 4DA6 GA2 0.00373 0.47002 7.90514
401 2B4Q NAP 0.009375 0.42819 7.97101
402 1OGZ EQU 0.007269 0.40933 8
403 1U3I GSH 0.005819 0.40263 8.05687
404 1LVL FAD 0.01278 0.4354 8.10056
405 3O03 NAP 0.00008295 0.51868 8.24742
406 2PTR 2SA 0.01349 0.41689 8.37989
407 1QS0 TDP 0.01004 0.41336 8.37989
408 4M5P 23W 0.007381 0.40792 8.37989
409 4M5P MLA 0.01792 0.40462 8.37989
410 4WNB 4BN 0.01459 0.40243 8.52713
411 3QV1 NAD 0.02232 0.4093 8.53659
412 2H8Z FMN 0.01023 0.42514 8.6351
413 2H8Z 8CM 0.01023 0.42514 8.6351
414 4PO2 ASN ARG LEU LEU LEU THR GLY 0.00126 0.45751 8.65922
415 4OE4 NAD 0.01706 0.41662 8.65922
416 2VPR TDC 0.009195 0.4093 8.69565
417 1GV0 NAD 0.0008003 0.47804 8.70968
418 2PMP C5P 0.003197 0.42715 8.75
419 3A2Q ACA ACA 0.003946 0.42755 8.93855
420 1LL2 UPG 0.0136 0.40916 9.00901
421 3KJI ADP 0.01424 0.40094 9.05512
422 3QDY CBS 0.0006862 0.44543 9.09091
423 3QDW A2G 0.0007129 0.40788 9.09091
424 3GE7 AFQ 0.004635 0.44629 9.21788
425 1GJW GLC 0.0008896 0.44061 9.21788
426 4C0X FMN 0.001551 0.4602 9.35961
427 4C0X AQN 0.002069 0.4602 9.35961
428 3KMZ EQO 0.008623 0.42587 9.3985
429 1IYE PGU 0.01877 0.41525 9.70874
430 2GDZ NAD 0.009126 0.42874 9.73783
431 3CQ5 PMP 0.007428 0.40392 9.7561
432 4G1V FAD 0.004334 0.4411 9.77654
433 4G87 UD1 0.01229 0.43837 9.77654
434 1H16 PYR 0.001227 0.40863 9.77654
435 1PKK DCP 0.002748 0.44222 9.80392
436 1NXJ TLA 0.008622 0.41155 9.83607
437 1H9G COA MYR 0.01258 0.41828 9.87654
438 4UBP HAE 0.02041 0.40036 10.3175
439 1NVU GTP 0.04413 0.41618 10.3352
440 2HGS ADP 0.0139 0.41037 10.3352
441 1NHZ 486 0.003686 0.43646 10.3571
442 3ZZQ TRP 0.0009084 0.45091 10.7692
443 2F59 INI 0.01273 0.40694 10.828
444 1L3I SAH 0.001998 0.45513 10.9375
445 2HV8 GTP 0.007217 0.42647 10.9375
446 4HZD COA 0.02305 0.41541 10.9929
447 3ACC 5GP 0.001414 0.43451 11.0497
448 2W1A TSA 0.004099 0.41757 11.1111
449 1ULE GLA GAL NAG 0.007088 0.40871 11.3333
450 1A69 FMB 0.003903 0.47342 11.3445
451 3AHC TPP 0.01543 0.41805 11.4525
452 1DR1 NAP 0.005956 0.44565 11.6402
453 1DR1 HBI 0.005956 0.44565 11.6402
454 3ZS7 ATP 0.02046 0.40272 12
455 4HZO COA 0.004319 0.41108 12.0112
456 1EZV SMA 0.001002 0.46892 12.1495
457 3CQD ATP 0.003772 0.45514 12.2977
458 1SNY NAP 0.02711 0.40281 12.7341
459 3I6B KDO 0.002072 0.4245 12.7778
460 5YAS FAC 0.008389 0.40423 12.8405
461 1MQ0 BRD 0.001653 0.4396 13.5714
462 1QW9 KHP 0.0152 0.4131 13.6872
463 4F8L GAL 0.002 0.46224 13.7931
464 1TH8 ADP 0.002604 0.42601 13.7931
465 1ME8 RVP 0.001832 0.4991 13.9665
466 4GO7 THR 0.002448 0.42716 14
467 3PVT 3HC 0.04177 0.40489 14.2857
468 1EDO NAP 0.04503 0.42284 14.3443
469 1OGD RIP 0.001273 0.43338 14.5038
470 3S9K CIT 0.0001598 0.54303 15.2542
471 4P9Z NMI PTR 02K ASN NH2 0.001024 0.43736 15.3846
472 2GJ3 FAD 0.01534 0.4051 15.8333
473 2R40 EPH 0.007248 0.43406 16.73
474 1F8F NAD 0.02468 0.42895 18.4358
475 3EW2 BTN 0.002332 0.4253 18.5185
476 4MP8 MLI 0.0124 0.43038 18.5841
477 4MP8 NAD 0.0124 0.43038 18.5841
478 1VQ2 DDN 0.007113 0.46025 18.6528
479 1JYQ MAZ PTR PTM ASN 0.03309 0.40885 18.75
480 4BMO FMN 0.01472 0.41373 21.0084
481 3F81 STT 0.007243 0.4157 22.4044
482 3UEC ALA ARG TPO LYS 0.0003842 0.45621 22.6027
483 3ZZS TRP 0.009476 0.43386 24.6154
Pocket No.: 6; Query (leader) PDB : 3BRE; Ligand: C2E; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3bre.bio2) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3BRE; Ligand: C2E; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3bre.bio2) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3BRE; Ligand: C2E; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3bre.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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