Receptor
PDB id Resolution Class Description Source Keywords
3CI3 1.11 Å EC: 2.5.1.17 STRUCTURE OF THE PDUO-TYPE ATP:CO(I)RRINOID ADENOSYLTRANSFER LACTOBACILLUS REUTERI COMPLEXED WITH PARTIAL ADENOSYLCOBALAP PPI LACTOBACILLUS REUTERI ADENOSYLTRANSFERASE VARIANT ADENOSYLCOBALAMIN BINDING ATP TRANSFERASE
Ref.: STRUCTURAL CHARACTERIZATION OF A HUMAN-TYPE CORRINO ADENOSYLTRANSFERASE CONFIRMS THAT COENZYME B12 IS SYNTHESIZED THROUGH A FOUR-COORDINATE INTERMEDIATE. BIOCHEMISTRY V. 47 5755 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3PO A:901;
Valid;
none;
submit data
257.955 H5 O10 P3 OP(=O...
5AD A:902;
Valid;
none;
submit data
251.242 C10 H13 N5 O3 C[C@@...
B12 A:800;
Part of Protein;
none;
submit data
1330.36 C62 H89 Co N13 O14 P Cc1cc...
MG A:190;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
NA A:189;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CI3 1.11 Å EC: 2.5.1.17 STRUCTURE OF THE PDUO-TYPE ATP:CO(I)RRINOID ADENOSYLTRANSFER LACTOBACILLUS REUTERI COMPLEXED WITH PARTIAL ADENOSYLCOBALAP PPI LACTOBACILLUS REUTERI ADENOSYLTRANSFERASE VARIANT ADENOSYLCOBALAMIN BINDING ATP TRANSFERASE
Ref.: STRUCTURAL CHARACTERIZATION OF A HUMAN-TYPE CORRINO ADENOSYLTRANSFERASE CONFIRMS THAT COENZYME B12 IS SYNTHESIZED THROUGH A FOUR-COORDINATE INTERMEDIATE. BIOCHEMISTRY V. 47 5755 2008
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3CI1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 3CI3 - 5AD C10 H13 N5 O3 C[C@@H]1[C....
3 3GAH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3CI4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 3GAI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 3GAJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3CI1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 3CI3 - 5AD C10 H13 N5 O3 C[C@@H]1[C....
3 3GAH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3CI4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 3GAI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 3GAJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 2NT8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3CI1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 3CI3 - 5AD C10 H13 N5 O3 C[C@@H]1[C....
3 3GAH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3CI4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 3GAI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 3GAJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 6D5X - 5AD C10 H13 N5 O3 C[C@@H]1[C....
8 2IDX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
9 2NT8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3PO; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 3PO 1 1
2 6YW 0.764706 1
3 9PI 0.764706 1
4 PPV 0.6 1
5 PIS 0.5 0.84
6 P22 0.44 0.75
Ligand no: 2; Ligand: 5AD; Similar ligands found: 241
No: Ligand ECFP6 Tc MDL keys Tc
1 5AD 1 1
2 RAB 0.672727 0.854839
3 XYA 0.672727 0.854839
4 ADN 0.672727 0.854839
5 Y3J 0.649123 0.929825
6 5N5 0.649123 0.854839
7 MTA 0.639344 0.857143
8 5CD 0.637931 0.868852
9 A4D 0.637931 0.854839
10 NWW 0.637931 0.946429
11 EP4 0.633333 0.830769
12 M2T 0.622951 0.80597
13 DTA 0.596774 0.815385
14 NWQ 0.59375 0.947368
15 3DH 0.59375 0.857143
16 CC5 0.568965 0.883333
17 7D7 0.568965 0.793651
18 S4M 0.565217 0.72
19 NEC 0.558824 0.885246
20 AOC 0.558824 0.828125
21 ZAS 0.552239 0.791045
22 A 0.552239 0.768116
23 LMS 0.552239 0.670886
24 AMP 0.552239 0.768116
25 A3N 0.550725 0.815385
26 45A 0.550725 0.771429
27 ABM 0.550725 0.771429
28 6RE 0.544118 0.757143
29 AMP MG 0.544118 0.779412
30 SRA 0.544118 0.726027
31 3AM 0.537313 0.753623
32 DSH 0.536232 0.768116
33 N5O 0.536232 0.815385
34 MAO 0.535211 0.710526
35 3AD 0.532258 0.83871
36 RP1 0.529412 0.722222
37 SP1 0.529412 0.722222
38 A2D 0.528571 0.746479
39 J7C 0.528571 0.768116
40 5AS 0.527778 0.650602
41 N5A 0.521127 0.84127
42 GJV 0.521127 0.746479
43 SON 0.520548 0.716216
44 A3G 0.514286 0.80303
45 A12 0.513889 0.716216
46 AP2 0.513889 0.716216
47 BA3 0.513889 0.746479
48 M33 0.513514 0.760563
49 AU1 0.513514 0.726027
50 MHZ 0.513514 0.710526
51 B4P 0.506849 0.746479
52 ADP 0.506849 0.746479
53 AP5 0.506849 0.746479
54 H1Q 0.506667 0.757143
55 SAM 0.5 0.75
56 NWZ 0.5 0.768116
57 PRX 0.5 0.75
58 2AM 0.5 0.742857
59 AN2 0.5 0.736111
60 ADP BEF 0.5 0.768116
61 ADP MG 0.5 0.768116
62 A7D 0.5 0.80303
63 AT4 0.5 0.716216
64 AD9 0.493506 0.726027
65 SA8 0.493506 0.771429
66 CA0 0.493333 0.726027
67 ADX 0.493333 0.670886
68 2BA 0.493151 0.764706
69 CMP 0.493151 0.776119
70 A3P 0.493151 0.742857
71 KL2 0.492537 0.73913
72 50T 0.486842 0.736111
73 A3T 0.486842 0.857143
74 ATP 0.486842 0.746479
75 5X8 0.486842 0.815385
76 KG4 0.486842 0.726027
77 HEJ 0.486842 0.746479
78 ACP 0.486842 0.726027
79 SFG 0.486842 0.828125
80 7D5 0.485294 0.684932
81 9ZA 0.481928 0.72
82 9ZD 0.481928 0.72
83 8LH 0.481481 0.739726
84 SMM 0.481481 0.72
85 ANP 0.481013 0.726027
86 AQP 0.480519 0.746479
87 APC 0.480519 0.716216
88 APR 0.480519 0.746479
89 AR6 0.480519 0.746479
90 5FA 0.480519 0.746479
91 A3S 0.48 0.815385
92 OVE 0.478873 0.712329
93 5AL 0.475 0.760563
94 AAT 0.475 0.746479
95 EEM 0.475 0.75
96 8LE 0.475 0.72973
97 V2G 0.475 0.688312
98 ATP MG 0.474359 0.768116
99 RBY 0.474359 0.716216
100 APC MG 0.474359 0.746479
101 ADV 0.474359 0.716216
102 AGS 0.474359 0.706667
103 ADP PO3 0.474359 0.768116
104 A5D 0.474359 0.815385
105 QQX 0.471429 0.708333
106 5F1 0.469697 0.78125
107 A5A 0.469136 0.675
108 ANP MG 0.469136 0.736111
109 SAH 0.468354 0.791045
110 SAI 0.468354 0.779412
111 G5A 0.468354 0.630952
112 BEF ADP 0.468354 0.746479
113 ACK 0.464789 0.761194
114 103 0.464789 0.764706
115 QQY 0.464789 0.71831
116 V47 0.463415 0.84127
117 S7M 0.463415 0.75
118 GAP 0.4625 0.726027
119 T99 0.4625 0.716216
120 TAT 0.4625 0.716216
121 ACQ 0.4625 0.726027
122 NX8 0.4625 0.757143
123 3D1 0.461538 0.772727
124 3L1 0.461538 0.772727
125 KF5 0.460317 0.650794
126 52H 0.457831 0.650602
127 54H 0.457831 0.658537
128 VMS 0.457831 0.658537
129 PAP 0.455696 0.732394
130 A2P 0.453333 0.753623
131 NOC 0.453125 0.790323
132 5I5 0.453125 0.913793
133 53H 0.452381 0.650602
134 8LQ 0.452381 0.739726
135 TSB 0.452381 0.666667
136 DAL AMP 0.452381 0.760563
137 MAP 0.452381 0.706667
138 QA7 0.452381 0.72973
139 ATF 0.451219 0.716216
140 ALF ADP 0.451219 0.706667
141 VO4 ADP 0.451219 0.726027
142 2VA 0.448718 0.830769
143 8QN 0.447059 0.760563
144 5SV 0.447059 0.710526
145 6YZ 0.445783 0.726027
146 SSA 0.445783 0.630952
147 SRP 0.445783 0.716216
148 K2K 0.443182 0.757143
149 0UM 0.44186 0.760563
150 LSS 0.44186 0.635294
151 PAJ 0.44186 0.701299
152 HQG 0.440476 0.736111
153 7D3 0.44 0.666667
154 PPS 0.439024 0.65
155 1ZZ 0.438202 0.683544
156 NVA 2AD 0.4375 0.782609
157 62X 0.436782 0.72
158 NVA LMS 0.436782 0.627907
159 K2H 0.436782 0.80597
160 D3Y 0.435294 0.791045
161 5CA 0.435294 0.630952
162 8X1 0.435294 0.609195
163 A22 0.435294 0.736111
164 KY2 0.435294 0.726027
165 KB1 0.433333 0.736111
166 MYR AMP 0.433333 0.683544
167 ARJ 0.432836 0.774194
168 SO8 0.432099 0.818182
169 VRT 0.432099 0.794118
170 K15 0.431818 0.739726
171 OAD 0.431818 0.75
172 9X8 0.431818 0.72973
173 LEU LMS 0.431818 0.642857
174 OZV 0.430233 0.746479
175 OOB 0.430233 0.736111
176 GEK 0.430233 0.757143
177 S8M 0.430233 0.757143
178 QXP 0.430233 0.654321
179 25A 0.430233 0.746479
180 3NZ 0.426966 0.782609
181 WAQ 0.426966 0.697368
182 GSU 0.426966 0.630952
183 ADZ 0.425926 0.618182
184 4AD 0.425287 0.706667
185 A1R 0.425287 0.697368
186 NSS 0.425287 0.630952
187 KYB 0.425287 0.726027
188 AMO 0.425287 0.716216
189 A3R 0.425287 0.697368
190 ADQ 0.425287 0.726027
191 DSZ 0.425287 0.630952
192 2A5 0.425 0.68
193 SXZ 0.422222 0.75
194 TXA 0.422222 0.739726
195 ME8 0.422222 0.683544
196 9K8 0.422222 0.627907
197 3OD 0.422222 0.75
198 PTJ 0.422222 0.710526
199 BIS 0.422222 0.697368
200 00A 0.420455 0.697368
201 DLL 0.420455 0.736111
202 JNT 0.420455 0.726027
203 AHX 0.420455 0.688312
204 ATR 0.419753 0.742857
205 7D4 0.417722 0.666667
206 TAD 0.416667 0.679487
207 QXG 0.41573 0.646341
208 ADP BMA 0.41573 0.726027
209 A6D 0.41573 0.716216
210 3UK 0.41573 0.726027
211 K38 0.413043 0.779412
212 CUU 0.4125 0.722222
213 AFX 0.411765 0.716418
214 26A 0.411765 0.787879
215 LAD 0.411111 0.679487
216 B5V 0.411111 0.716216
217 PR8 0.411111 0.670886
218 P5A 0.411111 0.602273
219 R2V 0.411111 0.654321
220 KAA 0.411111 0.609195
221 KY8 0.411111 0.746479
222 J4G 0.411111 0.706667
223 AF2 AF2 AF2 AF2 AF2 AF2 0.410256 0.714286
224 V3L 0.409639 0.746479
225 B5Y 0.408602 0.72973
226 KMQ 0.408602 0.739726
227 B5M 0.408602 0.72973
228 K3K 0.408602 0.779412
229 0XU 0.407407 0.828125
230 JB6 0.406593 0.697368
231 FYA 0.406593 0.736111
232 NB8 0.406593 0.688312
233 K2W 0.404255 0.736111
234 YSA 0.404255 0.630952
235 K3H 0.404255 0.771429
236 ZDA 0.402439 0.742857
237 KY5 0.402174 0.768116
238 25L 0.402174 0.736111
239 4UV 0.4 0.706667
240 101 0.4 0.708333
241 K3E 0.4 0.768116
Similar Ligands (3D)
Ligand no: 1; Ligand: 3PO; Similar ligands found: 123
No: Ligand Similarity coefficient
1 PPK 0.9999
2 0CG 0.9314
3 P23 0.9305
4 GVM 0.9272
5 5LD 0.9162
6 DII 0.9156
7 MAH 0.9107
8 FM4 0.9105
9 M44 0.9091
10 43W 0.9070
11 5DL 0.9058
12 HBU 0.9044
13 0CN 0.9036
14 PC 0.9032
15 152 0.9015
16 DEZ 0.9014
17 DER 0.9001
18 IPE 0.8983
19 FLC 0.8981
20 0FA 0.8975
21 SIF 0.8955
22 7UC 0.8940
23 DXP 0.8938
24 LX1 0.8937
25 TPO 0.8929
26 BGT 0.8928
27 E4P 0.8927
28 LUQ 0.8915
29 DI9 0.8903
30 NSB 0.8880
31 210 0.8877
32 TRC 0.8861
33 CIT 0.8858
34 M75 0.8855
35 SG3 0.8851
36 3PG 0.8839
37 CDI 0.8837
38 A5P 0.8834
39 3S4 0.8820
40 MEV 0.8819
41 KPC 0.8817
42 DG2 0.8815
43 RES 0.8810
44 3HG 0.8810
45 ICT 0.8807
46 OSE 0.8806
47 DED 0.8806
48 DZA 0.8798
49 1X4 0.8795
50 6JN 0.8791
51 KMH 0.8788
52 NCD 0.8787
53 MVH 0.8777
54 5RP 0.8775
55 1HS 0.8754
56 TIU 0.8750
57 SEP 0.8748
58 5XB 0.8746
59 TRA 0.8741
60 AVJ 0.8737
61 PEZ 0.8731
62 SSC 0.8725
63 8EW 0.8725
64 0L1 0.8724
65 ATH 0.8716
66 AOS 0.8714
67 3S5 0.8712
68 7A3 0.8706
69 MAJ 0.8704
70 CCB 0.8702
71 2PG 0.8699
72 911 0.8688
73 HPV 0.8687
74 MES 0.8677
75 TX4 0.8677
76 FOM 0.8673
77 GCO 0.8671
78 5ZZ 0.8667
79 KBB 0.8664
80 KVP 0.8660
81 CIR 0.8653
82 IPM 0.8649
83 R1P 0.8648
84 Q07 0.8647
85 EVF 0.8640
86 1AL 0.8640
87 AFS 0.8639
88 SPV 0.8629
89 ENL 0.8628
90 7A2 0.8627
91 CAX 0.8627
92 SVD 0.8621
93 GV9 0.8621
94 AT3 0.8616
95 C5A 0.8615
96 FBV 0.8613
97 FOC 0.8612
98 APG 0.8609
99 13P 0.8606
100 36E 0.8605
101 PDC 0.8603
102 41K 0.8594
103 GLO 0.8593
104 GLY PRO 0.8593
105 9SE 0.8591
106 KDG 0.8589
107 RTK 0.8585
108 PEP 0.8580
109 OMD 0.8580
110 SOR 0.8578
111 PA5 0.8576
112 GLU 0.8574
113 27L 0.8572
114 G3P 0.8570
115 IPR 0.8565
116 AZM 0.8563
117 G3H 0.8563
118 CCE 0.8560
119 JZA 0.8556
120 S7J 0.8554
121 IP8 0.8554
122 REL 0.8540
123 FUD 0.8530
Ligand no: 2; Ligand: 5AD; Similar ligands found: 1042
No: Ligand Similarity coefficient
1 TBN 0.9832
2 5FD 0.9817
3 1DA 0.9817
4 NOS 0.9811
5 FMB 0.9809
6 FMC 0.9800
7 9DI 0.9800
8 UA2 0.9800
9 AD3 0.9791
10 IMH 0.9790
11 HPR 0.9721
12 PRH 0.9721
13 FTU 0.9690
14 MDR 0.9682
15 5ID 0.9679
16 EKH 0.9674
17 PUR 0.9665
18 GMP 0.9654
19 2FA 0.9647
20 RPP 0.9638
21 TAL 0.9637
22 8OX 0.9629
23 6CR 0.9621
24 3BH 0.9620
25 CFE 0.9611
26 FM2 0.9607
27 6MD 0.9599
28 FM1 0.9597
29 F01 0.9593
30 4UO 0.9590
31 MTP 0.9584
32 DBM 0.9541
33 CL9 0.9533
34 IMG 0.9531
35 5NB 0.9528
36 2FD 0.9501
37 MTH 0.9488
38 GNG 0.9457
39 5UD 0.9453
40 9UL 0.9449
41 CDY 0.9434
42 MG7 0.9431
43 MTM 0.9427
44 MTI 0.9426
45 92O 0.9420
46 5MD 0.9419
47 B86 0.9415
48 SNI 0.9413
49 TIA 0.9411
50 0DN 0.9408
51 THM 0.9401
52 DCF 0.9399
53 ZSP 0.9388
54 MCY 0.9388
55 DTE 0.9386
56 8DA 0.9385
57 5E5 0.9383
58 833 0.9377
59 MZR 0.9377
60 NIR 0.9369
61 3DT 0.9365
62 NEU 0.9358
63 H7S 0.9355
64 URI 0.9355
65 ITW 0.9352
66 DTR 0.9350
67 2P3 0.9349
68 TRP 0.9348
69 5BT 0.9346
70 LL1 0.9330
71 2QU 0.9321
72 CTN 0.9310
73 RFZ 0.9308
74 XIL 0.9306
75 ID2 0.9302
76 KP2 0.9298
77 CTD 0.9290
78 XIF XYP 0.9290
79 DDU 0.9289
80 4GU 0.9287
81 4NR 0.9283
82 MCF 0.9282
83 XYP XYP 0.9272
84 MPU 0.9271
85 TIZ 0.9270
86 X48 0.9270
87 1Q4 0.9268
88 3IL 0.9268
89 XYP XDN 0.9264
90 5V7 0.9263
91 XYP XIF 0.9261
92 RBV 0.9258
93 8D6 0.9256
94 8HG 0.9255
95 EXG 0.9253
96 FWD 0.9246
97 TCR 0.9240
98 0FR 0.9240
99 NNR 0.9238
100 THU 0.9238
101 DUR 0.9236
102 H4B 0.9234
103 DCZ 0.9233
104 XDL XYP 0.9232
105 JA3 0.9230
106 C4E 0.9230
107 NEO 0.9228
108 0GA 0.9222
109 IQW 0.9222
110 M5H 0.9221
111 13A 0.9219
112 BP7 0.9218
113 GXG 0.9212
114 XDN XYP 0.9211
115 9FH 0.9209
116 B5A 0.9208
117 KWB 0.9207
118 FQX 0.9207
119 LUM 0.9206
120 RVE 0.9205
121 1ZC 0.9205
122 96Z 0.9204
123 KYN 0.9203
124 HO4 0.9202
125 69K 0.9202
126 0DF 0.9197
127 SCT 0.9197
128 22L 0.9196
129 7AP 0.9195
130 Q0K 0.9195
131 9CE 0.9194
132 TO1 0.9190
133 DBS 0.9190
134 AHU 0.9189
135 2JX 0.9189
136 0OK 0.9189
137 M02 0.9187
138 7CI 0.9185
139 AVX 0.9185
140 HBI 0.9184
141 CUH 0.9184
142 6J9 0.9184
143 XTS 0.9183
144 CTE 0.9179
145 4AB 0.9178
146 AOJ 0.9178
147 II4 0.9175
148 78U 0.9175
149 MUK 0.9175
150 28A 0.9174
151 TMC 0.9172
152 X2M 0.9172
153 3Y7 0.9171
154 5B2 0.9169
155 LTN 0.9167
156 GEO 0.9167
157 WVV 0.9163
158 4Z9 0.9161
159 H2B 0.9157
160 5ER 0.9157
161 2TU 0.9155
162 7L4 0.9150
163 5JT 0.9149
164 3VW 0.9148
165 BIO 0.9143
166 XYP AHR 0.9141
167 AUV 0.9141
168 L2K 0.9140
169 ZYV 0.9140
170 ODK 0.9136
171 NAL 0.9134
172 CWD 0.9134
173 I5A 0.9134
174 ZIQ 0.9133
175 7ZL 0.9133
176 UUA 0.9132
177 1FL 0.9129
178 PUE 0.9128
179 ZRK 0.9127
180 ETV 0.9127
181 XYP XYS 0.9125
182 LVY 0.9123
183 4CN 0.9120
184 0SY 0.9119
185 HH6 0.9119
186 GA2 0.9115
187 1A5 0.9115
188 N1E 0.9114
189 ZZA 0.9114
190 S0G 0.9114
191 DXK 0.9113
192 P1J 0.9112
193 LFN 0.9112
194 XYS XYP 0.9111
195 3RP 0.9110
196 NIY 0.9109
197 1DR 0.9107
198 F40 0.9106
199 5GV 0.9106
200 PE2 0.9105
201 CX6 0.9103
202 QME 0.9103
203 EAT 0.9102
204 H75 0.9099
205 AR3 0.9099
206 3SU 0.9098
207 7EH 0.9098
208 EYJ 0.9097
209 WCU 0.9096
210 BZM 0.9096
211 3D8 0.9093
212 P2L 0.9093
213 2D2 0.9090
214 PZ8 0.9090
215 4BX 0.9090
216 MIL 0.9089
217 TR7 0.9088
218 KW7 0.9088
219 AC2 0.9088
220 NQ7 0.9087
221 QMR 0.9087
222 2UD 0.9085
223 FT6 0.9084
224 CUQ 0.9084
225 1HP 0.9084
226 2QV 0.9083
227 EXR 0.9082
228 XI7 0.9080
229 CEG 0.9078
230 TCC 0.9077
231 6WR 0.9076
232 1KN 0.9076
233 A5H 0.9076
234 MXD 0.9075
235 BWD 0.9075
236 4G2 0.9074
237 6H2 0.9074
238 DNB 0.9073
239 4OG 0.9072
240 GZV 0.9072
241 6FB 0.9072
242 78Y 0.9071
243 5P3 0.9066
244 JGB 0.9066
245 G14 0.9064
246 W23 0.9063
247 DE7 0.9063
248 CZ0 0.9063
249 XYS XYS 0.9062
250 NWD 0.9061
251 5AE 0.9059
252 JF8 0.9059
253 RVD 0.9056
254 S0D 0.9056
255 ACE TRP 0.9055
256 P4L 0.9054
257 89J 0.9052
258 BBY 0.9049
259 88R 0.9047
260 C2M 0.9047
261 TYU 0.9045
262 2J1 0.9044
263 BHS 0.9043
264 E9S 0.9041
265 YE6 0.9040
266 XCG 0.9040
267 JY4 0.9039
268 X29 0.9038
269 STZ 0.9036
270 URD 0.9034
271 OCZ 0.9034
272 MR6 0.9030
273 5NN 0.9029
274 YOF 0.9028
275 FCD 0.9028
276 DAH 0.9027
277 JRO 0.9025
278 0UL 0.9025
279 AMR 0.9025
280 EF2 0.9025
281 363 0.9024
282 S7D 0.9024
283 DNQ 0.9024
284 B61 0.9023
285 VUP 0.9022
286 X6P 0.9022
287 PIQ 0.9020
288 0OY 0.9019
289 HA6 0.9018
290 3VQ 0.9018
291 DBQ 0.9018
292 4AU 0.9017
293 272 0.9017
294 M83 0.9016
295 MFR 0.9014
296 A4N 0.9014
297 WV7 0.9014
298 ZEB 0.9013
299 EQU 0.9013
300 XFE 0.9013
301 3AK 0.9010
302 FYR 0.9009
303 HRM 0.9008
304 Q9T 0.9006
305 IWD 0.9005
306 FNA 0.9004
307 PQM 0.9004
308 PQT 0.9003
309 IQQ 0.9003
310 PRL 0.9002
311 5C1 0.9001
312 3IP 0.9000
313 FC2 0.8999
314 TI7 0.8999
315 0J4 0.8998
316 GFE 0.8997
317 AVA 0.8995
318 OA1 0.8994
319 Z21 0.8993
320 JCZ 0.8993
321 EXX 0.8991
322 APS 0.8991
323 I2E 0.8990
324 JVQ 0.8989
325 4FF 0.8988
326 DKZ 0.8988
327 4EU 0.8988
328 38B 0.8987
329 3CA 0.8987
330 DBE 0.8987
331 Y70 0.8985
332 54E 0.8983
333 N0Z 0.8983
334 K80 0.8982
335 LJ4 0.8980
336 X11 0.8980
337 TOH 0.8980
338 ARP 0.8979
339 WLH 0.8979
340 SYE 0.8979
341 KLE 0.8979
342 RSV 0.8979
343 4I8 0.8979
344 A9B 0.8978
345 1VK 0.8978
346 M01 0.8975
347 22T 0.8975
348 6J3 0.8974
349 DHZ 0.8974
350 CNI 0.8973
351 JFS 0.8972
352 SOJ 0.8971
353 IOS 0.8971
354 TMG 0.8970
355 A4V 0.8969
356 EES 0.8969
357 CMU 0.8969
358 5WK 0.8968
359 TJM 0.8966
360 30G 0.8966
361 27M 0.8966
362 0ON 0.8966
363 DKX 0.8965
364 92G 0.8965
365 MEX 0.8964
366 KMY 0.8964
367 EST 0.8964
368 NXB 0.8963
369 AJ4 0.8962
370 EQA 0.8961
371 FMQ 0.8961
372 AGV 0.8960
373 AX4 0.8960
374 CJB 0.8959
375 EV2 0.8958
376 1XS 0.8956
377 3IB 0.8955
378 5S9 0.8955
379 Z15 0.8954
380 C0H 0.8954
381 6C9 0.8953
382 ERZ 0.8952
383 4L2 0.8952
384 E1K 0.8951
385 NRA 0.8950
386 JMG 0.8950
387 848 0.8949
388 51Y 0.8947
389 2GQ 0.8947
390 A73 0.8947
391 EXL 0.8946
392 AP6 0.8946
393 6EL 0.8946
394 42R 0.8944
395 BC3 0.8943
396 BSA 0.8943
397 HVE 0.8941
398 DK4 0.8941
399 AWE 0.8939
400 Q4G 0.8939
401 ZEZ 0.8938
402 3GX 0.8938
403 NE1 0.8938
404 MMS 0.8937
405 NPS 0.8936
406 1V1 0.8936
407 68B 0.8936
408 G30 0.8935
409 T1N 0.8934
410 W29 0.8934
411 2L1 0.8934
412 0J5 0.8934
413 BVD 0.8933
414 JO5 0.8932
415 GPK 0.8931
416 7G0 0.8931
417 50Q 0.8931
418 FZM 0.8930
419 50C 0.8930
420 5TY 0.8930
421 ZJB 0.8928
422 5SJ 0.8928
423 SOV 0.8928
424 HNT 0.8928
425 CJZ 0.8928
426 IDZ 0.8927
427 AUG 0.8925
428 L5D 0.8924
429 HWD 0.8923
430 AUE 0.8923
431 EQW 0.8922
432 C93 0.8922
433 6ZW 0.8922
434 2JM 0.8921
435 LJ3 0.8920
436 5VU 0.8919
437 FCW 0.8919
438 ANC 0.8918
439 BMC 0.8918
440 4MP 0.8917
441 5FL 0.8917
442 OA4 0.8915
443 BPY 0.8914
444 5E4 0.8913
445 D9Z 0.8913
446 MOK 0.8912
447 WS6 0.8910
448 LWS 0.8910
449 IA2 0.8910
450 BXZ 0.8909
451 K48 0.8909
452 LTT 0.8908
453 CP6 0.8908
454 JMQ 0.8907
455 GZ2 0.8907
456 2L2 0.8906
457 1A7 0.8906
458 2K8 0.8906
459 657 0.8905
460 A4T 0.8905
461 5F8 0.8905
462 K7H 0.8902
463 6HO 0.8901
464 PQS 0.8901
465 DPT 0.8900
466 VM1 0.8900
467 26C 0.8899
468 HLP 0.8899
469 EYY 0.8898
470 38E 0.8897
471 3WO 0.8896
472 3WN 0.8896
473 6DQ 0.8896
474 FPL 0.8893
475 IOP 0.8892
476 54F 0.8892
477 57D 0.8891
478 20D 0.8890
479 PLP 0.8890
480 PW1 0.8888
481 MBY 0.8888
482 0OL 0.8888
483 9BF 0.8887
484 FHI 0.8887
485 MR4 0.8887
486 CGW 0.8886
487 HHS 0.8885
488 LR8 0.8884
489 JWS 0.8882
490 5P7 0.8881
491 2KU 0.8881
492 ID8 0.8880
493 X0T 0.8880
494 LFQ 0.8880
495 SGP 0.8879
496 9JT 0.8879
497 PVQ 0.8878
498 092 0.8878
499 ALN 0.8877
500 9FG 0.8877
501 E9L 0.8877
502 28B 0.8876
503 8CC 0.8876
504 A4G 0.8875
505 2GD 0.8875
506 SGV 0.8874
507 3WJ 0.8874
508 BB4 0.8873
509 1V3 0.8872
510 NPX 0.8871
511 54X 0.8871
512 SX3 0.8871
513 BZJ 0.8871
514 FHV 0.8870
515 2PK 0.8870
516 7PJ 0.8869
517 1QP 0.8869
518 OX2 0.8869
519 4FP 0.8869
520 DX2 0.8868
521 IAC 0.8868
522 EAJ 0.8867
523 GPQ 0.8866
524 TR4 0.8866
525 8Y7 0.8866
526 LZ5 0.8866
527 VCE 0.8865
528 Z57 0.8864
529 BIK 0.8864
530 BNY 0.8864
531 ONZ 0.8864
532 IYR 0.8863
533 B2L 0.8863
534 MJ5 0.8862
535 3WK 0.8861
536 WOE 0.8861
537 16Z 0.8860
538 19E 0.8860
539 SY4 0.8860
540 DIH 0.8858
541 N8Z 0.8857
542 25F 0.8857
543 CUT 0.8857
544 CPW 0.8856
545 4K2 0.8854
546 MPK 0.8853
547 DNA 0.8853
548 78P 0.8852
549 ZRL 0.8851
550 JOB 0.8851
551 SV4 0.8850
552 2J5 0.8849
553 8P3 0.8849
554 1V4 0.8849
555 PMM 0.8848
556 5F5 0.8848
557 6QF 0.8847
558 LR2 0.8847
559 E6Q 0.8846
560 RVB 0.8845
561 EUH 0.8844
562 5TZ 0.8844
563 NYJ 0.8843
564 0LO 0.8843
565 1SF 0.8842
566 LLT 0.8842
567 B4O 0.8841
568 5H6 0.8841
569 BZQ 0.8841
570 BDJ 0.8840
571 2PV 0.8840
572 4ZF 0.8840
573 CX5 0.8840
574 XRS 0.8839
575 C4F 0.8839
576 ZME 0.8839
577 GPU 0.8837
578 ZON 0.8837
579 DGO Z61 0.8837
580 BRD 0.8835
581 2LW 0.8834
582 LP8 0.8833
583 TLF 0.8833
584 BP3 0.8833
585 15Q 0.8831
586 RKV 0.8831
587 CDJ 0.8831
588 IQZ 0.8831
589 7PS 0.8830
590 1YL 0.8830
591 M78 0.8830
592 2LT 0.8830
593 6J5 0.8829
594 4RU 0.8828
595 1ER 0.8827
596 SZ5 0.8826
597 EMO 0.8826
598 AAN 0.8825
599 RE4 0.8824
600 64I 0.8823
601 V2Z 0.8823
602 7O4 0.8823
603 N2M 0.8823
604 5DS 0.8823
605 H5B 0.8823
606 3JC 0.8822
607 96R 0.8822
608 5WN 0.8821
609 RGK 0.8821
610 GEN 0.8821
611 X04 0.8820
612 CH8 0.8819
613 IXG 0.8819
614 8G6 0.8819
615 TCL 0.8818
616 3F4 0.8818
617 1CY 0.8818
618 LVP 0.8817
619 GXD 0.8816
620 NKI 0.8815
621 C0W 0.8815
622 V1T 0.8815
623 WDW 0.8814
624 J3Z 0.8814
625 Q11 0.8813
626 NE2 0.8813
627 N8M 0.8813
628 39Z 0.8811
629 3VX 0.8809
630 46M 0.8809
631 6BK 0.8809
632 H35 0.8808
633 68A 0.8808
634 BGU 0.8808
635 CK2 0.8807
636 M2E 0.8807
637 M5E 0.8806
638 5OR 0.8805
639 A9K 0.8805
640 SJK 0.8804
641 TGW 0.8804
642 B4L 0.8803
643 CBE 0.8803
644 Z16 0.8802
645 FB4 0.8801
646 L3L 0.8801
647 3J8 0.8800
648 7FZ 0.8800
649 BZE 0.8800
650 LOX XYP 0.8799
651 E3X 0.8799
652 AP4 0.8798
653 977 0.8797
654 BGN 0.8796
655 THA 0.8796
656 S60 0.8794
657 G6P 0.8793
658 CC6 0.8793
659 PVK 0.8791
660 OUB 0.8791
661 DDC 0.8791
662 W8G 0.8791
663 FY8 0.8790
664 QMS 0.8790
665 2WU 0.8790
666 A18 0.8788
667 B21 0.8788
668 8OB 0.8787
669 RKN 0.8786
670 MR5 0.8786
671 2OH 0.8785
672 LU2 0.8785
673 GJP 0.8785
674 HNK 0.8784
675 9PL 0.8783
676 6TJ 0.8783
677 HNL 0.8782
678 5BX 0.8782
679 OLU 0.8781
680 Q5M 0.8780
681 YE7 0.8780
682 7G1 0.8780
683 CHQ 0.8780
684 AH9 0.8779
685 3QI 0.8779
686 5O6 0.8779
687 NTF 0.8779
688 AN3 0.8778
689 OUA 0.8778
690 LVD 0.8778
691 8UY 0.8777
692 Q9P 0.8777
693 QIV 0.8777
694 I59 0.8776
695 XDK 0.8776
696 QR2 0.8775
697 47V 0.8775
698 L1T 0.8774
699 N18 0.8773
700 RDT 0.8773
701 PMP 0.8773
702 ENO 0.8773
703 JRB 0.8771
704 UL1 0.8771
705 72E 0.8771
706 WSD 0.8771
707 FUB FUB 0.8770
708 6NZ 0.8770
709 B52 0.8769
710 9KZ 0.8769
711 ISC 0.8768
712 CSN 0.8768
713 H70 0.8767
714 PBQ 0.8767
715 3UG 0.8766
716 4R1 0.8766
717 FTV 0.8765
718 7VF 0.8765
719 ANF 0.8764
720 A5Q 0.8763
721 M3Q 0.8763
722 DFL 0.8763
723 CWE 0.8763
724 AGI 0.8763
725 F4U 0.8763
726 PCQ 0.8762
727 C53 0.8762
728 397 0.8762
729 BGP 0.8761
730 Z8B 0.8760
731 MP5 0.8760
732 BG6 0.8759
733 VT3 0.8759
734 PPN 0.8759
735 NAR 0.8758
736 HX8 0.8757
737 EZN 0.8756
738 IIH 0.8756
739 F4K 0.8756
740 6QT 0.8755
741 EI1 0.8755
742 JAH 0.8755
743 3VS 0.8755
744 Y3L 0.8755
745 WG8 0.8754
746 18E 0.8754
747 4E5 0.8753
748 LZJ 0.8752
749 EXD 0.8751
750 535 0.8751
751 RUG 0.8750
752 M3W 0.8750
753 BIE 0.8749
754 N9J 0.8749
755 14N 0.8749
756 1QV 0.8749
757 B23 0.8749
758 0OO 0.8747
759 DRG 0.8747
760 6C5 0.8747
761 RVC 0.8747
762 Y0V 0.8746
763 6SW 0.8744
764 EYV 0.8744
765 4AF 0.8743
766 JY2 0.8742
767 X0U 0.8742
768 KTJ 0.8741
769 AU8 0.8740
770 KLV 0.8740
771 WS7 0.8740
772 ALE 0.8738
773 6HX 0.8737
774 4I5 0.8736
775 TB8 0.8736
776 A5K 0.8735
777 11X 0.8735
778 2O6 0.8735
779 TSR 0.8734
780 3XH 0.8733
781 9ZE 0.8731
782 QKU 0.8730
783 M77 0.8730
784 F5C 0.8729
785 4WF 0.8728
786 ZEC 0.8727
787 7D1 MAN 0.8726
788 CU8 0.8725
789 92P 0.8725
790 K44 0.8724
791 JP2 0.8724
792 VJJ 0.8723
793 3B4 0.8722
794 IMK 0.8721
795 ITE 0.8721
796 F18 0.8721
797 0X2 0.8721
798 344 0.8720
799 MQS 0.8720
800 AHR FUB 0.8718
801 7CH 0.8717
802 8XL 0.8716
803 D64 0.8716
804 C0Y 0.8716
805 AJD 0.8716
806 BZC 0.8715
807 U13 0.8714
808 YZ9 0.8713
809 2DL 0.8713
810 7G2 0.8712
811 Z17 0.8712
812 SG2 0.8711
813 AA 0.8711
814 D1M 0.8711
815 FER 0.8711
816 MAN IFM 0.8710
817 IFM BGC 0.8710
818 537 0.8710
819 TIY 0.8710
820 6X9 0.8708
821 HO6 0.8707
822 BY5 0.8706
823 56N 0.8706
824 MW5 0.8705
825 5GT 0.8705
826 4NS 0.8704
827 8OE 0.8703
828 6DH 0.8702
829 1Z6 0.8702
830 S98 0.8701
831 S1D 0.8701
832 SKF 0.8701
833 DHY 0.8701
834 5XL 0.8700
835 D1G 0.8700
836 TYR 0.8699
837 DTY 0.8699
838 61M 0.8698
839 3DE 0.8697
840 JSX 0.8697
841 PFF 0.8697
842 L22 0.8697
843 MD6 0.8695
844 9H2 0.8695
845 PLR 0.8694
846 VBC 0.8694
847 CR4 0.8694
848 120 0.8694
849 N2Y 0.8693
850 6MW 0.8693
851 YUG 0.8692
852 NLA 0.8690
853 FF2 0.8688
854 DCN 0.8688
855 AOY 0.8688
856 789 0.8686
857 P93 0.8686
858 GO8 0.8685
859 IM5 0.8685
860 M6P 0.8684
861 JTA 0.8684
862 H52 0.8684
863 0J2 0.8683
864 L13 0.8683
865 BA5 0.8683
866 SLY 0.8683
867 TYC 0.8682
868 Q8G 0.8682
869 R9G 0.8681
870 4FE 0.8681
871 EGR 0.8680
872 DGO MAN 0.8680
873 IXM 0.8679
874 BGC BMA 0.8677
875 KMP 0.8676
876 GLP 0.8675
877 DS8 0.8674
878 0XR 0.8673
879 B2Y 0.8673
880 ESZ 0.8673
881 M3E 0.8672
882 8U3 0.8672
883 AX8 0.8671
884 LOT 0.8671
885 GAL FUC 0.8671
886 FT2 0.8670
887 ZEA 0.8670
888 6ZE 0.8669
889 1EL 0.8669
890 1WO 0.8668
891 MNP 0.8667
892 Z25 0.8666
893 GVY 0.8666
894 6DP 0.8666
895 GLC IFM 0.8665
896 LDC 0.8665
897 A7K 0.8665
898 6DE 0.8664
899 6SX 0.8664
900 75G 0.8662
901 A4Q 0.8662
902 8SK 0.8660
903 HHV 0.8659
904 Z70 0.8659
905 EZB 0.8657
906 PCG 0.8657
907 SWX 0.8656
908 BMZ 0.8655
909 DHC 0.8654
910 AOX 0.8654
911 N91 0.8654
912 TZM 0.8653
913 6C4 0.8653
914 4NP 0.8652
915 XEV 0.8651
916 U19 0.8651
917 EVF 0.8651
918 CUE 0.8651
919 7QV 0.8650
920 DT9 0.8650
921 UAY 0.8650
922 801 0.8650
923 MFZ 0.8650
924 4FC 0.8649
925 J38 0.8647
926 HNM 0.8646
927 ELH 0.8645
928 4HB 0.8645
929 HRD 0.8644
930 MQB 0.8643
931 GW3 0.8642
932 J27 0.8641
933 1HN 0.8640
934 S8P 0.8640
935 CP7 0.8639
936 YIH 0.8639
937 5O5 0.8639
938 6SZ 0.8637
939 LEL 0.8635
940 A6H 0.8632
941 FBC 0.8632
942 IL5 0.8632
943 124 0.8631
944 JOH 0.8630
945 PLP PMP 0.8628
946 E0O 0.8628
947 TT4 0.8627
948 531 0.8626
949 YIP 0.8625
950 CXH 0.8625
951 ERJ 0.8624
952 PAU 0.8624
953 TXQ 0.8624
954 47X 0.8623
955 HNH 0.8621
956 TC8 0.8621
957 F1X 0.8621
958 CG8 0.8619
959 HMD 0.8619
960 4MB 0.8618
961 MAJ 0.8616
962 6VW 0.8615
963 AX5 0.8615
964 JO8 0.8614
965 PNP 0.8614
966 S8G 0.8614
967 EYA 0.8614
968 NQ8 0.8613
969 MAN MNM 0.8610
970 A1Y 0.8609
971 F63 0.8609
972 RDV 0.8608
973 ZYR 0.8607
974 AKD 0.8607
975 HWB 0.8607
976 LNR 0.8607
977 3WL 0.8606
978 AH6 0.8606
979 BVA 0.8605
980 A7Q 0.8603
981 V15 0.8603
982 4V2 0.8601
983 RHN 0.8600
984 CPZ 0.8599
985 JF1 0.8597
986 XG1 0.8596
987 MUR 0.8595
988 8MO 0.8594
989 DC5 0.8594
990 G1P 0.8592
991 A5P 0.8591
992 GN6 0.8591
993 M0N 0.8590
994 BP6 0.8590
995 6U5 0.8590
996 TES 0.8589
997 4BF 0.8584
998 36E 0.8583
999 OQC 0.8583
1000 C2Y 0.8582
1001 802 0.8581
1002 6FG 0.8581
1003 145 0.8580
1004 BRY 0.8579
1005 35G 0.8576
1006 ASD 0.8576
1007 ANO 0.8576
1008 FT1 0.8575
1009 QTS 0.8575
1010 17M 0.8574
1011 FUC GAL 0.8572
1012 PZP 0.8571
1013 E1N 0.8571
1014 TVC 0.8569
1015 NPL 0.8568
1016 Q2S 0.8567
1017 JPB 0.8565
1018 R9J 0.8565
1019 M6Z 0.8564
1020 S0E 0.8562
1021 XDH 0.8559
1022 WL3 0.8559
1023 KHP 0.8559
1024 I4D 0.8558
1025 ZTW 0.8558
1026 J84 0.8556
1027 HBO 0.8556
1028 3NF 0.8551
1029 KOM 0.8550
1030 0FK 0.8544
1031 BNL 0.8542
1032 GF4 0.8540
1033 2AN 0.8540
1034 JAK 0.8537
1035 0JD 0.8536
1036 774 0.8530
1037 7I2 0.8528
1038 BRH 0.8525
1039 9RM 0.8518
1040 A6P 0.8512
1041 ET0 0.8505
1042 VIB 0.8502
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CI3; Ligand: 3PO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3ci3.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3CI3; Ligand: 3PO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3ci3.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3CI3; Ligand: 3PO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3ci3.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3CI3; Ligand: 5AD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3ci3.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3CI3; Ligand: 5AD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3ci3.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3CI3; Ligand: 5AD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3ci3.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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