Receptor
PDB id Resolution Class Description Source Keywords
4R3U 2.5 Å EC: 5.4.99.- CRYSTAL STRUCTURE OF 2-HYDROXYISOBUTYRYL-COA MUTASE AQUINCOLA TERTIARICARBONIS TIM ROSSMANN FOLD MUTASE COA ISOMERASE
Ref.: STRUCTURAL BASIS OF THE STEREOSPECIFICITY OF BACTER B12-DEPENDENT 2-HYDROXYISOBUTYRYL-COA MUTASE. J.BIOL.CHEM. V. 290 9727 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3KK B:802;
A:802;
Valid;
Valid;
none;
none;
submit data
853.623 C25 H42 N7 O18 P3 S CC(C)...
B12 C:800;
D:800;
Part of Protein;
Part of Protein;
none;
none;
submit data
1330.36 C62 H89 Co N13 O14 P Cc1cc...
5AD A:803;
Valid;
none;
submit data
251.242 C10 H13 N5 O3 C[C@@...
3HC A:801;
B:801;
Valid;
Valid;
none;
none;
submit data
853.623 C25 H42 N7 O18 P3 S CC(CC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4R3U 2.5 Å EC: 5.4.99.- CRYSTAL STRUCTURE OF 2-HYDROXYISOBUTYRYL-COA MUTASE AQUINCOLA TERTIARICARBONIS TIM ROSSMANN FOLD MUTASE COA ISOMERASE
Ref.: STRUCTURAL BASIS OF THE STEREOSPECIFICITY OF BACTER B12-DEPENDENT 2-HYDROXYISOBUTYRYL-COA MUTASE. J.BIOL.CHEM. V. 290 9727 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4R3U - 5AD C10 H13 N5 O3 C[C@@H]1[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4R3U - 5AD C10 H13 N5 O3 C[C@@H]1[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4R3U - 5AD C10 H13 N5 O3 C[C@@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3KK; Similar ligands found: 179
No: Ligand ECFP6 Tc MDL keys Tc
1 3KK 1 1
2 OXK 0.909091 0.977273
3 ACO 0.9 0.988636
4 COS 0.883333 0.955056
5 CAO 0.883333 0.944444
6 2MC 0.879032 0.956044
7 CO6 0.870968 1
8 1VU 0.870968 0.988636
9 KFV 0.866142 0.915789
10 MCA 0.865079 0.988636
11 COK 0.862903 0.955056
12 IVC 0.857143 0.988506
13 MLC 0.857143 0.977273
14 3HC 0.857143 0.988506
15 1HE 0.857143 0.955556
16 BCO 0.857143 0.977273
17 FYN 0.854839 0.977012
18 COO 0.850394 0.977273
19 CAA 0.850394 0.988506
20 SOP 0.848 0.977273
21 YXS 0.84375 0.90625
22 SCA 0.84375 0.977273
23 MC4 0.84375 0.945652
24 YXR 0.84375 0.90625
25 COA 0.842975 0.977012
26 0T1 0.842975 0.954545
27 DCA 0.841667 0.954545
28 CMC 0.84127 0.955056
29 30N 0.837398 0.894737
30 2KQ 0.837209 0.977528
31 1GZ 0.837209 0.966292
32 COW 0.837209 0.966292
33 IRC 0.837209 0.988506
34 HGG 0.837209 0.977273
35 BYC 0.837209 0.977273
36 BCA 0.830769 0.966292
37 FAQ 0.830769 0.977273
38 A1S 0.828125 0.955056
39 ETB 0.826446 0.921348
40 1CZ 0.825758 0.966292
41 HXC 0.824427 0.977528
42 GRA 0.824427 0.977273
43 AMX 0.822581 0.965517
44 TGC 0.818182 0.966292
45 CMX 0.816 0.954545
46 SCO 0.816 0.954545
47 2CP 0.815385 0.966292
48 CO8 0.81203 0.977528
49 2NE 0.81203 0.955556
50 FCX 0.809524 0.923077
51 FAM 0.809524 0.933333
52 COF 0.80916 0.934066
53 3CP 0.80916 0.955056
54 ST9 0.80597 0.977528
55 5F9 0.80597 0.977528
56 DCC 0.80597 0.977528
57 MFK 0.80597 0.977528
58 MYA 0.80597 0.977528
59 UCC 0.80597 0.977528
60 HAX 0.80315 0.933333
61 4CA 0.80303 0.944444
62 CIC 0.798507 0.955056
63 WCA 0.794118 0.955556
64 CS8 0.794118 0.966667
65 SCD 0.792308 0.954545
66 KGP 0.790698 0.90625
67 MCD 0.790698 0.955056
68 YZS 0.790698 0.90625
69 CA6 0.790698 0.886598
70 HDC 0.788321 0.977528
71 4KX 0.788321 0.945055
72 KGJ 0.78626 0.894737
73 NMX 0.784615 0.884211
74 MRR 0.782609 0.977528
75 MRS 0.782609 0.977528
76 1CV 0.781022 0.977273
77 4CO 0.779412 0.944444
78 0FQ 0.779412 0.955056
79 CAJ 0.778626 0.955056
80 J5H 0.776978 0.977273
81 DAK 0.776978 0.945055
82 YNC 0.776978 0.966292
83 0ET 0.773723 0.955556
84 01A 0.773723 0.913979
85 8Z2 0.771429 0.966667
86 KGA 0.768657 0.885417
87 LCV 0.766917 0.896907
88 YE1 0.766917 0.94382
89 SO5 0.766917 0.896907
90 UOQ 0.76259 0.955556
91 NHM 0.76259 0.955556
92 NHW 0.76259 0.955556
93 HFQ 0.757143 0.934066
94 CA8 0.755556 0.886598
95 1HA 0.75 0.955556
96 F8G 0.739726 0.935484
97 NHQ 0.736111 0.965909
98 S0N 0.733813 0.933333
99 CCQ 0.733813 0.956044
100 7L1 0.732824 0.988636
101 01K 0.721088 0.977273
102 COT 0.716216 0.955056
103 CA3 0.706667 0.955056
104 CO7 0.702899 0.977273
105 UCA 0.701299 0.977528
106 CA5 0.683871 0.913979
107 COD 0.682171 0.965517
108 93P 0.679487 0.944444
109 N9V 0.673611 0.923077
110 93M 0.658385 0.944444
111 HMG 0.639456 0.94382
112 4BN 0.639053 0.935484
113 5TW 0.639053 0.935484
114 OXT 0.627219 0.935484
115 COA FLC 0.623188 0.943182
116 PLM COA 0.609272 0.944444
117 COA PLM 0.609272 0.944444
118 JBT 0.602273 0.915789
119 BSJ 0.587209 0.923913
120 PAP 0.567797 0.793103
121 ASP ASP ASP ILE CMC NH2 0.550898 0.912088
122 191 0.535948 0.886598
123 RFC 0.534162 0.977528
124 SFC 0.534162 0.977528
125 PPS 0.528455 0.736842
126 A3P 0.516949 0.781609
127 ACE SER ASP ALY THR NH2 COA 0.497268 0.933333
128 0WD 0.496552 0.771739
129 PTJ 0.455882 0.852273
130 3AM 0.453782 0.770115
131 8LE 0.446154 0.829545
132 A22 0.443609 0.795455
133 PUA 0.441558 0.802198
134 9BG 0.44 0.771739
135 A2D 0.439024 0.784091
136 PAJ 0.437037 0.863636
137 HQG 0.43609 0.795455
138 3OD 0.434783 0.806818
139 SAP 0.434109 0.808989
140 ATR 0.434109 0.781609
141 AGS 0.434109 0.808989
142 ADP 0.428571 0.804598
143 2A5 0.426357 0.827586
144 A2R 0.425373 0.795455
145 BA3 0.420635 0.784091
146 NA7 0.42029 0.83908
147 OAD 0.42029 0.806818
148 HEJ 0.418605 0.804598
149 ATP 0.418605 0.804598
150 B4P 0.417323 0.784091
151 AP5 0.417323 0.784091
152 ADQ 0.416058 0.786517
153 AQP 0.415385 0.804598
154 APR 0.415385 0.784091
155 AR6 0.415385 0.784091
156 5FA 0.415385 0.804598
157 48N 0.414966 0.811111
158 AN2 0.414062 0.795455
159 APU 0.413333 0.769231
160 8LQ 0.411765 0.818182
161 25L 0.411348 0.795455
162 M33 0.410853 0.795455
163 9X8 0.410072 0.808989
164 SRP 0.407407 0.818182
165 YLB 0.406667 0.88764
166 ANP 0.406015 0.786517
167 YLP 0.405405 0.88764
168 ME8 0.404255 0.824176
169 FYA 0.404255 0.795455
170 AT4 0.403101 0.818182
171 5AL 0.402985 0.795455
172 F2R 0.402597 0.846154
173 NJP 0.402597 0.788889
174 7D3 0.401575 0.775281
175 AD9 0.401515 0.786517
176 A A A 0.4 0.795455
177 CA0 0.4 0.786517
178 7D4 0.4 0.775281
179 ATF 0.4 0.777778
Ligand no: 2; Ligand: 5AD; Similar ligands found: 217
No: Ligand ECFP6 Tc MDL keys Tc
1 5AD 1 1
2 XYA 0.672727 0.854839
3 ADN 0.672727 0.854839
4 RAB 0.672727 0.854839
5 Y3J 0.649123 0.929825
6 5N5 0.649123 0.854839
7 MTA 0.639344 0.857143
8 A4D 0.637931 0.854839
9 5CD 0.637931 0.868852
10 EP4 0.633333 0.830769
11 M2T 0.622951 0.80597
12 DTA 0.596774 0.815385
13 3DH 0.59375 0.857143
14 7D7 0.568965 0.793651
15 CC5 0.568965 0.883333
16 S4M 0.565217 0.72
17 NEC 0.558824 0.885246
18 AOC 0.558824 0.828125
19 LMS 0.552239 0.670886
20 ZAS 0.552239 0.791045
21 AMP 0.552239 0.768116
22 A 0.552239 0.768116
23 A3N 0.550725 0.815385
24 45A 0.550725 0.771429
25 ABM 0.550725 0.771429
26 SRA 0.544118 0.726027
27 6RE 0.544118 0.757143
28 3AM 0.537313 0.753623
29 N5O 0.536232 0.815385
30 DSH 0.536232 0.768116
31 MAO 0.535211 0.710526
32 3AD 0.532258 0.83871
33 RP1 0.529412 0.722222
34 SP1 0.529412 0.722222
35 J7C 0.528571 0.768116
36 A2D 0.528571 0.746479
37 5AS 0.527778 0.650602
38 GJV 0.521127 0.746479
39 N5A 0.521127 0.84127
40 SON 0.520548 0.716216
41 A3G 0.514286 0.80303
42 A12 0.513889 0.716216
43 BA3 0.513889 0.746479
44 AP2 0.513889 0.716216
45 M33 0.513514 0.760563
46 AU1 0.513514 0.726027
47 MHZ 0.513514 0.710526
48 B4P 0.506849 0.746479
49 ADP 0.506849 0.746479
50 AP5 0.506849 0.746479
51 H1Q 0.506667 0.757143
52 2AM 0.5 0.742857
53 A7D 0.5 0.80303
54 PRX 0.5 0.75
55 AN2 0.5 0.736111
56 ADP MG 0.5 0.768116
57 AT4 0.5 0.716216
58 SAM 0.5 0.75
59 AD9 0.493506 0.726027
60 SA8 0.493506 0.771429
61 ADX 0.493333 0.670886
62 CA0 0.493333 0.726027
63 2BA 0.493151 0.764706
64 A3P 0.493151 0.742857
65 CMP 0.493151 0.776119
66 HEJ 0.486842 0.746479
67 SFG 0.486842 0.828125
68 KG4 0.486842 0.726027
69 5X8 0.486842 0.815385
70 50T 0.486842 0.736111
71 A3T 0.486842 0.857143
72 ATP 0.486842 0.746479
73 ACP 0.486842 0.726027
74 7D5 0.485294 0.684932
75 9ZD 0.481928 0.72
76 9ZA 0.481928 0.72
77 SMM 0.481481 0.72
78 8LH 0.481481 0.739726
79 ANP 0.481013 0.726027
80 AQP 0.480519 0.746479
81 5FA 0.480519 0.746479
82 AR6 0.480519 0.746479
83 APC 0.480519 0.716216
84 APR 0.480519 0.746479
85 A3S 0.48 0.815385
86 OVE 0.478873 0.712329
87 5AL 0.475 0.760563
88 EEM 0.475 0.75
89 AAT 0.475 0.746479
90 8LE 0.475 0.72973
91 SAP 0.474359 0.706667
92 A5D 0.474359 0.815385
93 ADV 0.474359 0.716216
94 RBY 0.474359 0.716216
95 APC MG 0.474359 0.746479
96 ADP PO3 0.474359 0.768116
97 ATP MG 0.474359 0.768116
98 AGS 0.474359 0.706667
99 QQX 0.471429 0.708333
100 5F1 0.469697 0.78125
101 A5A 0.469136 0.675
102 G5A 0.468354 0.630952
103 SAI 0.468354 0.779412
104 SAH 0.468354 0.791045
105 QQY 0.464789 0.71831
106 ACK 0.464789 0.761194
107 103 0.464789 0.764706
108 S7M 0.463415 0.75
109 TAT 0.4625 0.716216
110 T99 0.4625 0.716216
111 GAP 0.4625 0.726027
112 ACQ 0.4625 0.726027
113 3L1 0.461538 0.772727
114 3D1 0.461538 0.772727
115 52H 0.457831 0.650602
116 54H 0.457831 0.658537
117 VMS 0.457831 0.658537
118 PAP 0.455696 0.732394
119 A2P 0.453333 0.753623
120 5I5 0.453125 0.913793
121 NOC 0.453125 0.790323
122 8LQ 0.452381 0.739726
123 MAP 0.452381 0.706667
124 TSB 0.452381 0.666667
125 DAL AMP 0.452381 0.760563
126 53H 0.452381 0.650602
127 ALF ADP 0.451219 0.706667
128 ADP ALF 0.451219 0.706667
129 ATF 0.451219 0.716216
130 2VA 0.448718 0.830769
131 8QN 0.447059 0.760563
132 5SV 0.447059 0.710526
133 VO4 ADP 0.445783 0.736111
134 ADP VO4 0.445783 0.736111
135 SRP 0.445783 0.716216
136 SSA 0.445783 0.630952
137 6YZ 0.445783 0.726027
138 PAJ 0.44186 0.701299
139 0UM 0.44186 0.760563
140 LSS 0.44186 0.635294
141 HQG 0.440476 0.736111
142 7D3 0.44 0.666667
143 PPS 0.439024 0.65
144 1ZZ 0.438202 0.683544
145 NVA 2AD 0.4375 0.782609
146 62X 0.436782 0.72
147 NVA LMS 0.436782 0.627907
148 D3Y 0.435294 0.791045
149 5CA 0.435294 0.630952
150 A22 0.435294 0.736111
151 8X1 0.435294 0.609195
152 MYR AMP 0.433333 0.683544
153 KB1 0.433333 0.736111
154 ARJ 0.432836 0.774194
155 VRT 0.432099 0.794118
156 SO8 0.432099 0.818182
157 9X8 0.431818 0.72973
158 K15 0.431818 0.739726
159 OAD 0.431818 0.75
160 LEU LMS 0.431818 0.627907
161 OZV 0.430233 0.746479
162 25A 0.430233 0.746479
163 OOB 0.430233 0.736111
164 GEK 0.430233 0.757143
165 S8M 0.430233 0.757143
166 3NZ 0.426966 0.782609
167 WAQ 0.426966 0.697368
168 GSU 0.426966 0.630952
169 ADZ 0.425926 0.618182
170 DSZ 0.425287 0.630952
171 4AD 0.425287 0.706667
172 NSS 0.425287 0.630952
173 AMO 0.425287 0.716216
174 A3R 0.425287 0.697368
175 A1R 0.425287 0.697368
176 ADQ 0.425287 0.726027
177 2A5 0.425 0.68
178 SXZ 0.422222 0.75
179 ME8 0.422222 0.683544
180 PTJ 0.422222 0.710526
181 TXA 0.422222 0.739726
182 BIS 0.422222 0.697368
183 9K8 0.422222 0.627907
184 3OD 0.422222 0.75
185 00A 0.420455 0.697368
186 AHX 0.420455 0.688312
187 DLL 0.420455 0.736111
188 ATR 0.419753 0.742857
189 7D4 0.417722 0.666667
190 TAD 0.416667 0.679487
191 ADP BMA 0.41573 0.726027
192 A6D 0.41573 0.716216
193 3UK 0.41573 0.726027
194 AFX 0.411765 0.716418
195 26A 0.411765 0.787879
196 P5A 0.411111 0.602273
197 PR8 0.411111 0.670886
198 B5V 0.411111 0.716216
199 A A 0.411111 0.746479
200 KAA 0.411111 0.609195
201 LAD 0.411111 0.679487
202 J4G 0.411111 0.706667
203 V3L 0.409639 0.746479
204 B5M 0.408602 0.72973
205 YAP 0.408602 0.706667
206 B5Y 0.408602 0.72973
207 0XU 0.407407 0.828125
208 JB6 0.406593 0.697368
209 FYA 0.406593 0.736111
210 NB8 0.406593 0.688312
211 YSA 0.404255 0.630952
212 ZDA 0.402439 0.742857
213 25L 0.402174 0.736111
214 TYR AMP 0.4 0.706667
215 101 0.4 0.708333
216 A A A 0.4 0.736111
217 4UV 0.4 0.706667
Ligand no: 3; Ligand: 3HC; Similar ligands found: 167
No: Ligand ECFP6 Tc MDL keys Tc
1 3HC 1 1
2 IVC 0.919355 1
3 1VU 0.903226 0.977273
4 BCO 0.888889 0.988506
5 HGG 0.882812 0.988506
6 MLC 0.874016 0.988506
7 1HE 0.874016 0.966292
8 ACO 0.870968 0.977273
9 CAA 0.867188 1
10 SCA 0.860465 0.988506
11 CO6 0.858268 0.988506
12 3KK 0.857143 0.988506
13 HXC 0.854962 0.966292
14 CAO 0.854839 0.955056
15 COS 0.854839 0.965909
16 OXK 0.850394 0.988506
17 FAQ 0.847328 0.988506
18 YXS 0.846154 0.895833
19 YXR 0.846154 0.895833
20 CO8 0.842105 0.966292
21 GRA 0.840909 0.988506
22 MCA 0.838462 0.977273
23 2MC 0.837209 0.945055
24 DCC 0.835821 0.966292
25 5F9 0.835821 0.966292
26 UCC 0.835821 0.966292
27 MYA 0.835821 0.966292
28 ST9 0.835821 0.966292
29 MFK 0.835821 0.966292
30 TGC 0.834586 0.977273
31 HDC 0.830882 0.966292
32 0T1 0.830645 0.965517
33 DCA 0.829268 0.943182
34 FYN 0.828125 0.988372
35 1GZ 0.825758 0.977273
36 IRC 0.825758 1
37 COO 0.824427 0.988506
38 CS8 0.823529 0.955556
39 COK 0.821705 0.965909
40 SOP 0.821705 0.965909
41 MC4 0.818182 0.934783
42 A1S 0.816794 0.965909
43 COA 0.816 0.988372
44 CMC 0.815385 0.965909
45 COW 0.81203 0.977273
46 KFV 0.81203 0.905263
47 BYC 0.81203 0.988506
48 30N 0.811024 0.904255
49 BCA 0.80597 0.977273
50 2CP 0.804511 0.955056
51 ETB 0.8 0.910112
52 AMX 0.796875 0.976744
53 KGP 0.793893 0.895833
54 YZS 0.793893 0.895833
55 YNC 0.792857 0.977273
56 SCO 0.790698 0.965517
57 CMX 0.790698 0.965517
58 1CZ 0.788321 0.977273
59 2NE 0.788321 0.966292
60 MRR 0.785714 0.966292
61 MRS 0.785714 0.966292
62 COF 0.785185 0.944444
63 3CP 0.785185 0.965909
64 2KQ 0.785185 0.966292
65 FAM 0.784615 0.94382
66 FCX 0.784615 0.933333
67 CAJ 0.781955 0.94382
68 MCD 0.780303 0.94382
69 4CA 0.779412 0.955056
70 HAX 0.778626 0.94382
71 CCQ 0.775362 0.945055
72 WCA 0.771429 0.966292
73 LCV 0.77037 0.886598
74 SO5 0.77037 0.886598
75 SCD 0.768657 0.965517
76 CA6 0.766917 0.876289
77 4KX 0.765957 0.955556
78 0ET 0.764286 0.944444
79 CIC 0.76259 0.965909
80 8Z2 0.762238 0.955556
81 NMX 0.761194 0.893617
82 0FQ 0.757143 0.965909
83 4CO 0.757143 0.955056
84 J5H 0.755245 0.988506
85 DAK 0.755245 0.955556
86 NHM 0.753521 0.944444
87 UOQ 0.753521 0.944444
88 NHW 0.753521 0.944444
89 01A 0.751773 0.923913
90 KGJ 0.75 0.884211
91 1CV 0.746479 0.988506
92 YE1 0.744526 0.954545
93 HFQ 0.736111 0.944444
94 CA8 0.733813 0.895833
95 KGA 0.733813 0.875
96 1HA 0.72973 0.966292
97 NHQ 0.727891 0.977012
98 01K 0.724832 0.965909
99 F8G 0.72 0.924731
100 UCA 0.716129 0.966292
101 S0N 0.713287 0.94382
102 7L1 0.711111 0.977273
103 COT 0.708609 0.965909
104 CA3 0.688312 0.965909
105 CO7 0.683099 0.988506
106 CA5 0.677215 0.923913
107 93P 0.6625 0.955056
108 COD 0.661654 0.976744
109 N9V 0.655405 0.933333
110 93M 0.652439 0.955056
111 HMG 0.644295 0.954545
112 COA PLM 0.635762 0.933333
113 PLM COA 0.635762 0.933333
114 5TW 0.633721 0.924731
115 4BN 0.633721 0.924731
116 OXT 0.612717 0.924731
117 JBT 0.606742 0.905263
118 COA FLC 0.605634 0.954023
119 ASP ASP ASP ILE CMC NH2 0.57485 0.922222
120 BSJ 0.573864 0.934066
121 191 0.551948 0.876289
122 PAP 0.54918 0.802326
123 SFC 0.521212 0.966292
124 RFC 0.521212 0.966292
125 PPS 0.511811 0.744681
126 ACE SER ASP ALY THR NH2 COA 0.51087 0.922222
127 A3P 0.5 0.790698
128 0WD 0.493243 0.78022
129 PTJ 0.442857 0.862069
130 8LQ 0.441176 0.827586
131 PUA 0.43949 0.811111
132 3AM 0.439024 0.77907
133 A22 0.430657 0.804598
134 A2D 0.425197 0.793103
135 PAJ 0.42446 0.873563
136 HQG 0.423358 0.804598
137 3OD 0.422535 0.816092
138 AGS 0.421053 0.818182
139 ATR 0.421053 0.790698
140 SAP 0.421053 0.818182
141 9BG 0.419355 0.78022
142 ADP 0.415385 0.813953
143 48N 0.413333 0.8
144 A2R 0.413043 0.804598
145 8LE 0.411765 0.83908
146 M33 0.409091 0.804598
147 NA7 0.408451 0.848837
148 OAD 0.408451 0.816092
149 BA3 0.407692 0.793103
150 HEJ 0.406015 0.813953
151 ATP 0.406015 0.813953
152 8LH 0.405797 0.827586
153 YLB 0.405229 0.897727
154 AP5 0.40458 0.793103
155 B4P 0.40458 0.793103
156 ADQ 0.404255 0.795455
157 YLP 0.403974 0.876405
158 5FA 0.402985 0.813953
159 APR 0.402985 0.793103
160 2A5 0.402985 0.837209
161 AR6 0.402985 0.793103
162 AQP 0.402985 0.813953
163 ME8 0.402778 0.833333
164 FYA 0.402778 0.804598
165 APU 0.402597 0.777778
166 AN2 0.401515 0.804598
167 5AL 0.40146 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4R3U; Ligand: 3HC; 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: 4r3u.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4R3U; Ligand: 3HC; 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: 4r3u.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4R3U; Ligand: 3KK; 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: 4r3u.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4R3U; Ligand: 3KK; 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: 4r3u.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4R3U; Ligand: 3KK; 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: 4r3u.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4R3U; Ligand: 3KK; 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: 4r3u.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4R3U; Ligand: 3HC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4r3u.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4R3U; Ligand: 3HC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4r3u.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4R3U; 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: 9) in the query (biounit: 4r3u.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4R3U; 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: 10) in the query (biounit: 4r3u.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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