Receptor
PDB id Resolution Class Description Source Keywords
5WKC 2.33 Å EC: 2.2.1.6 SACCHAROMYCES CEREVISIAE ACETOHYDROXYACID SYNTHASE IN COMPLE HERBICIDE PENOXSULAM SACCHAROMYCES CEREVISIAE S288C AHAS ACETOHYDROXYACID SYNTHASE; SCAHAS; THIAMINE DIPHOSPHATADENINE DINUCLEOTIDE; PENOXSULAM; AMINOETHENETHIOL DIPHOSPHPERACETATE. STRUCTURAL PROTEIN TRANSFERASE
Ref.: STRUCTURAL INSIGHTS INTO THE MECHANISM OF INHIBITIO BY HERBICIDES. PROC. NATL. ACAD. SCI. V. 115 E1945 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F50 B:705;
A:704;
E:705;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
76.051 C2 H4 O3 CC(=O...
FAD A:703;
E:703;
B:703;
D:703;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
TP9 E:704;
B:704;
D:704;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
412.296 C11 H18 N4 O7 P2 S Cc1nc...
MG B:701;
A:701;
D:701;
E:701;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
PXD B:702;
E:702;
D:702;
A:702;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Ki = 2.2 nM
483.37 C16 H14 F5 N5 O5 S COc1c...
AUJ A:705;
 Valid;
 none;
 submit data
501.366 C14 H23 N4 O10 P2 S Cc1nc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WKC 2.33 Å EC: 2.2.1.6 SACCHAROMYCES CEREVISIAE ACETOHYDROXYACID SYNTHASE IN COMPLE HERBICIDE PENOXSULAM SACCHAROMYCES CEREVISIAE S288C AHAS ACETOHYDROXYACID SYNTHASE; SCAHAS; THIAMINE DIPHOSPHATADENINE DINUCLEOTIDE; PENOXSULAM; AMINOETHENETHIOL DIPHOSPHPERACETATE. STRUCTURAL PROTEIN TRANSFERASE
Ref.: STRUCTURAL INSIGHTS INTO THE MECHANISM OF INHIBITIO BY HERBICIDES. PROC. NATL. ACAD. SCI. V. 115 E1945 2018 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5WKC Ki = 2.2 nM PXD C16 H14 F5 N5 O5 S COc1cnc(n2....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5WKC Ki = 2.2 nM PXD C16 H14 F5 N5 O5 S COc1cnc(n2....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5WKC Ki = 2.2 nM PXD C16 H14 F5 N5 O5 S COc1cnc(n2....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: F50; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 F50 1 1
2 PYR 0.428571 0.6
Ligand no: 2; Ligand: FAD; Similar ligands found: 147
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 UBG 0.845588 0.987654
6 6FA 0.794118 0.987654
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 JNT 0.598425 0.876543
12 FAJ 0.57485 0.97561
13 62F 0.572327 0.939024
14 F2N 0.566265 0.886364
15 FMN 0.543307 0.876543
16 FA9 0.526316 0.939759
17 6YU 0.516304 0.860215
18 CNV FAD 0.511905 0.908046
19 P6G FDA 0.511628 0.908046
20 FAD NBT 0.508876 0.83871
21 A2D 0.504065 0.875
22 DAL FAD PER 0.491429 0.836957
23 P5F 0.491329 0.941176
24 FAD CNX 0.488506 0.8125
25 APR 0.488372 0.851852
26 AR6 0.488372 0.851852
27 FAD T2C 0.485876 0.819149
28 AGS 0.484615 0.811765
29 M33 0.484375 0.864198
30 BA3 0.484127 0.875
31 ATP 0.48062 0.851852
32 HEJ 0.48062 0.851852
33 B4P 0.480315 0.875
34 ADP 0.480315 0.851852
35 AP5 0.480315 0.875
36 ANP 0.477273 0.831325
37 5FA 0.476923 0.851852
38 AQP 0.476923 0.851852
39 48N 0.469388 0.902439
40 OAD 0.467626 0.876543
41 9X8 0.467626 0.833333
42 FAD NBA 0.467033 0.793814
43 GTA 0.465753 0.892857
44 AT4 0.465116 0.821429
45 AN2 0.465116 0.841463
46 HQG 0.463235 0.841463
47 AD9 0.462121 0.831325
48 3OD 0.460993 0.876543
49 RBF 0.460938 0.790123
50 FB0 0.460606 0.835165
51 139 0.460526 0.858824
52 AP0 0.46 0.835294
53 A22 0.459854 0.864198
54 ACP 0.458015 0.853659
55 8QN 0.456522 0.864198
56 PRX 0.454545 0.831325
57 A3R 0.453237 0.86747
58 A1R 0.453237 0.86747
59 G3A 0.452055 0.902439
60 T5A 0.45098 0.872093
61 G5P 0.44898 0.902439
62 ATF 0.448529 0.821429
63 50T 0.44697 0.819277
64 OZV 0.446043 0.851852
65 6YZ 0.445255 0.853659
66 ACQ 0.444444 0.853659
67 ADQ 0.442857 0.853659
68 PAJ 0.442857 0.847059
69 KMQ 0.441379 0.843373
70 8LE 0.441176 0.855422
71 5AL 0.441176 0.864198
72 ADX 0.439394 0.775281
73 CA0 0.439394 0.853659
74 8LQ 0.438849 0.865854
75 QA7 0.438849 0.855422
76 A4P 0.437909 0.831461
77 25L 0.4375 0.864198
78 P33 FDA 0.436464 0.817204
79 KG4 0.43609 0.853659
80 5SV 0.435714 0.793103
81 8LH 0.434783 0.843373
82 OMR 0.434211 0.818182
83 TXE 0.434211 0.890244
84 45A 0.434109 0.829268
85 ABM 0.434109 0.829268
86 AMP 0.433071 0.82716
87 A 0.433071 0.82716
88 4AD 0.432624 0.855422
89 ADJ 0.432258 0.818182
90 B5M 0.431507 0.878049
91 B5Y 0.431507 0.878049
92 BIS 0.430556 0.802326
93 DJC FAD 0.43 0.827957
94 SRA 0.429688 0.788235
95 AFH 0.42953 0.825581
96 DND 0.427632 0.865854
97 TXD 0.427632 0.890244
98 UP5 0.427632 0.878049
99 6V0 0.427632 0.857143
100 DQV 0.426667 0.8875
101 SRP 0.42446 0.843373
102 PR8 0.423611 0.837209
103 TAT 0.423358 0.821429
104 T99 0.423358 0.821429
105 AMO 0.422535 0.865854
106 PTJ 0.42069 0.835294
107 TXA 0.42069 0.865854
108 FYA 0.42069 0.864198
109 CNA 0.420382 0.865854
110 AHX 0.41958 0.835294
111 00A 0.41958 0.823529
112 AMP MG 0.418605 0.814815
113 MAP 0.41844 0.811765
114 NAI 0.418301 0.845238
115 AU1 0.41791 0.831325
116 A12 0.416667 0.843373
117 AP2 0.416667 0.843373
118 9ZD 0.415493 0.845238
119 25A 0.415493 0.851852
120 9ZA 0.415493 0.845238
121 COD 0.415094 0.842697
122 4TC 0.412903 0.879518
123 APC 0.411765 0.843373
124 ME8 0.410959 0.806818
125 1ZZ 0.410959 0.806818
126 NB8 0.410959 0.835294
127 ADP BEF 0.410448 0.82716
128 ADP MG 0.410448 0.82716
129 DJ0 FAD 0.41 0.865169
130 4UW 0.409091 0.825581
131 NAX 0.409091 0.837209
132 F2R 0.408805 0.850575
133 ADV 0.408759 0.843373
134 RBY 0.408759 0.843373
135 VO4 ADP 0.407143 0.809524
136 P1H 0.405882 0.818182
137 BEF ADP 0.405797 0.807229
138 OOB 0.405594 0.864198
139 LAD 0.40411 0.825581
140 UPA 0.403846 0.86747
141 4UU 0.401316 0.833333
142 GA7 0.401316 0.865854
143 A3D 0.401235 0.876543
144 80F 0.401235 0.808989
145 DLL 0.4 0.864198
146 XAH 0.4 0.806818
147 V2G 0.4 0.857143
Ligand no: 3; Ligand: TP9; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 TP9 1 1
2 DPX 0.517241 0.9
3 G8G 0.430108 0.875
Ligand no: 4; Ligand: PXD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PXD 1 1
Ligand no: 5; Ligand: AUJ; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 AUJ 1 1
2 TDL 0.752809 0.974359
3 TDK 0.744444 0.974026
4 D7K 0.67 0.961538
5 T5X 0.653465 0.949367
6 T6F 0.653465 0.949367
7 O2T 0.635417 0.987013
8 TDW 0.630435 0.947368
9 HTL 0.630435 0.935065
10 THV 0.62766 0.935065
11 WWF 0.621053 0.911392
12 THY 0.597938 0.923077
13 TD6 0.584158 0.924051
14 TOG 0.58 0.924051
15 THW 0.574257 0.935065
16 TD9 0.572816 0.924051
17 TD8 0.572816 0.924051
18 TPP 0.55914 0.921053
19 5SR 0.556701 0.922078
20 8PA 0.554545 0.923077
21 V4E 0.520408 0.921053
22 TPW 0.494737 0.828947
23 TDP DX5 0.486726 0.924051
24 PYI 0.479592 0.818182
25 1Y7 TDP 0.470085 0.924051
26 TDP 0.47 0.907895
27 1U0 0.461538 0.846154
28 S1T 0.460784 0.842105
29 R1T 0.460784 0.842105
30 8EO 0.445545 0.851852
31 TMV 0.441176 0.884615
32 TPU 0.438776 0.802469
33 TPS 0.4375 0.881579
34 8FL 0.431373 0.829268
35 NDQ 0.427184 0.865854
36 2TP 0.427184 0.886076
37 TZD 0.411765 0.819277
38 8EL 0.403846 0.829268
39 8EF 0.4 0.77381
Similar Ligands (3D)
Ligand no: 1; Ligand: F50; Similar ligands found: 244
No: Ligand Similarity coefficient
1 HVB 1.0000
2 ALA 1.0000
3 GLV 1.0000
4 HAE 1.0000
5 F3V 1.0000
6 GOA 1.0000
7 AKR 1.0000
8 FAH 1.0000
9 PPI 1.0000
10 2A3 1.0000
11 2A1 1.0000
12 J3K 1.0000
13 GLY 1.0000
14 NMU 0.9989
15 NHY 0.9986
16 61G 0.9986
17 R3W 0.9981
18 MGX 0.9978
19 NIE 0.9974
20 ATO 0.9933
21 AGU 0.9920
22 BXA 0.9882
23 TSZ 0.9850
24 1BP 0.9830
25 CP2 0.9775
26 BRP 0.9775
27 TCV 0.9762
28 GOL 0.9741
29 2OP 0.9664
30 DAL 0.9635
31 AOA 0.9618
32 PXO 0.9618
33 HGY 0.9616
34 LAC 0.9614
35 GXV 0.9583
36 ACT 0.9572
37 OXL 0.9572
38 OXM 0.9553
39 3MT 0.9552
40 ACM 0.9543
41 MEU 0.9538
42 1CB 0.9532
43 OXD 0.9529
44 3TR 0.9521
45 NIS 0.9510
46 3GR 0.9509
47 AF3 0.9509
48 BU4 0.9507
49 SEY 0.9506
50 2AI 0.9498
51 4MZ 0.9498
52 5MP 0.9496
53 SAR 0.9493
54 HOW 0.9491
55 AMT 0.9489
56 1MZ 0.9487
57 2MZ 0.9487
58 6SP 0.9486
59 BAQ 0.9482
60 BUO 0.9479
61 9A4 0.9477
62 EGD 0.9477
63 BAL 0.9470
64 BUA 0.9469
65 HBS 0.9459
66 JZ6 0.9459
67 2HA 0.9457
68 BUQ 0.9451
69 5KX 0.9443
70 NAK 0.9439
71 PYM 0.9435
72 MR3 0.9435
73 GBL 0.9431
74 BYZ 0.9429
75 3OH 0.9423
76 ALQ 0.9413
77 BMD 0.9411
78 HBR 0.9409
79 BEF 0.9406
80 ES3 0.9406
81 ABA 0.9395
82 ETF 0.9388
83 3ZS 0.9383
84 CYS 0.9383
85 OSM 0.9370
86 MMU 0.9365
87 EDO 0.9359
88 13D 0.9356
89 AXO 0.9356
90 5Y9 0.9355
91 78T 0.9355
92 2PO 0.9355
93 MZY 0.9342
94 IPA 0.9339
95 ATQ 0.9339
96 PYZ 0.9311
97 PZO 0.9311
98 3CL 0.9309
99 ALF 0.9308
100 3BB 0.9307
101 TF4 0.9294
102 HUH 0.9277
103 D2P 0.9273
104 KCS 0.9269
105 MTG 0.9269
106 CNH 0.9258
107 2HP 0.9257
108 TRI 0.9256
109 IMD 0.9256
110 SLP 0.9249
111 BUB 0.9212
112 XAP 0.9206
113 ITU 0.9191
114 BBU 0.9181
115 03W 0.9173
116 HSW 0.9165
117 CRD 0.9157
118 TMO 0.9150
119 NOE 0.9145
120 BXO 0.9141
121 03S 0.9141
122 MCH 0.9141
123 QPT 0.9135
124 BRJ 0.9127
125 VSO 0.9119
126 THR 0.9113
127 TB0 0.9107
128 DGY 0.9100
129 FPO 0.9093
130 9A7 0.9085
131 HYN 0.9082
132 FW5 0.9079
133 0CL 0.9079
134 DXX 0.9079
135 TAN 0.9077
136 TBU 0.9074
137 0PY 0.9074
138 VN4 0.9073
139 HIU 0.9061
140 P1R 0.9051
141 XIX 0.9050
142 MMZ 0.9048
143 SER 0.9045
144 2KT 0.9040
145 DSN 0.9039
146 MZ0 0.9039
147 3BR 0.9038
148 HSL 0.9034
149 B20 0.9033
150 3PY 0.9031
151 MSF 0.9026
152 DE2 0.9026
153 BF4 0.9018
154 1AC 0.9013
155 2PA 0.9003
156 BNZ 0.9001
157 GB 0.8998
158 MB3 0.8982
159 DCE 0.8975
160 1SP 0.8971
161 BVC 0.8971
162 PHZ 0.8967
163 CXL 0.8966
164 HUI 0.8965
165 7EX 0.8963
166 2RA 0.8960
167 ART 0.8959
168 DSS 0.8954
169 24T 0.8946
170 DBB 0.8944
171 A3B 0.8944
172 IPH 0.8943
173 SMB 0.8940
174 PUT 0.8940
175 8FH 0.8939
176 25T 0.8939
177 MMQ 0.8936
178 A2Q 0.8935
179 PO4 0.8934
180 FUS 0.8932
181 39J 0.8931
182 CEJ 0.8923
183 DMI 0.8919
184 9PO 0.8919
185 CHT 0.8918
186 LGA 0.8916
187 3AP 0.8913
188 ETX 0.8912
189 CYH 0.8907
190 WOT 0.8906
191 2AP 0.8900
192 HRZ 0.8899
193 1DH 0.8898
194 MBN 0.8895
195 HAI 0.8891
196 DCY 0.8889
197 HVK 0.8882
198 4AP 0.8880
199 KG7 0.8875
200 HVQ 0.8871
201 KSW 0.8870
202 BVG 0.8867
203 C2N 0.8865
204 2IM 0.8863
205 4AX 0.8862
206 DTI 0.8860
207 L60 0.8859
208 PRI 0.8854
209 V1L 0.8851
210 FJO 0.8842
211 WO6 0.8841
212 NVI 0.8824
213 9XN 0.8823
214 HV2 0.8818
215 2EZ 0.8817
216 MLI 0.8812
217 GXE 0.8807
218 MLA 0.8792
219 ISU 0.8784
220 DMG 0.8783
221 PEJ 0.8778
222 PIH 0.8776
223 93B 0.8758
224 HHN 0.8752
225 TAY 0.8748
226 XPO 0.8739
227 C5J 0.8734
228 BTL 0.8733
229 TAU 0.8728
230 8CL 0.8722
231 8X3 0.8722
232 TTO 0.8719
233 3HR 0.8712
234 3HL 0.8704
235 HLT 0.8701
236 HGW 0.8692
237 2HE 0.8685
238 ETM 0.8685
239 MTD 0.8681
240 PPF 0.8678
241 AAE 0.8647
242 P2D 0.8630
243 IVA 0.8587
244 9SB 0.8570
Ligand no: 2; Ligand: FAD; Similar ligands found: 1
No: Ligand Similarity coefficient
1 FDA T2C 0.8610
Ligand no: 3; Ligand: TP9; Similar ligands found: 17
No: Ligand Similarity coefficient
1 TPP 0.9752
2 TDP 0.9719
3 TPW 0.9629
4 TPU 0.9554
5 8EL 0.9522
6 8EO 0.9518
7 8EF 0.9506
8 TZD 0.9373
9 HTD 0.9345
10 8FL 0.9252
11 2TP 0.9174
12 N1T 0.9070
13 HTL 0.8801
14 TDM 0.8703
15 R1T 0.8691
16 S1T 0.8590
17 1U0 0.8549
Ligand no: 4; Ligand: PXD; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 5; Ligand: AUJ; Similar ligands found: 9
No: Ligand Similarity coefficient
1 TPP PYR 0.9548
2 TDM 0.9387
3 8N9 0.9295
4 THD 0.9160
5 HE3 0.8849
6 G8G 0.8837
7 TDN 0.8802
8 TDP COI 0.8789
9 1TP 0.8578
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WKC; Ligand: PXD; 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: 5wkc.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5WKC; Ligand: TP9; Similar sites found with APoc: 47
This union binding pocket(no: 2) in the query (biounit: 5wkc.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2VK4 TPP 36.9449
2 2VK4 TPP 36.9449
3 2VK4 TPP 36.9449
4 2VBF TPP 37.193
5 2VBF TPP 37.193
6 2NXW TPP 38.0531
7 2NXW TPP 38.0531
8 1ZPD DPX 41.0211
9 1ZPD DPX 41.0211
10 1ZPD DPX 41.0211
11 1ZPD DPX 41.0211
12 4D5G TPP 41.0866
13 4D5G FAD 41.0866
14 4D5G FAD 41.0866
15 4D5G TPP 41.0866
16 6QSI TPP 44.3182
17 6QSI TPP 44.3182
18 1OZH HE3 44.6996
19 1OZH HE3 44.6996
20 1OZH HE3 44.6996
21 1OZH HE3 44.6996
22 1UPA TPP 44.8517
23 1UPA TPP 44.8517
24 2IHT TPP 44.8517
25 2IHT TPP 44.8517
26 2IHT TPP 44.8517
27 1UPA TPP 44.8517
28 1UPA TPP 44.8517
29 2IHT TPP 44.8517
30 2IHU TP9 45.0262
31 2IHU TP9 45.0262
32 2IHU TP9 45.0262
33 2IHU TP9 45.0262
34 3IAE D7K 45.0877
35 3IAE D7K 45.0877
36 2UZ1 TPP 45.6483
37 2UZ1 TPP 45.6483
38 2UZ1 TPP 45.6483
39 2UZ1 TPP 45.6483
40 4RJK TPP 48.5114
41 4RJK TPP 48.5114
42 4RJK TPP 48.5114
43 4RJK TPP 48.5114
44 4RJK TPP 48.5114
45 4RJK TPP 48.5114
46 4RJK TPP 48.5114
47 4RJK TDL 48.5114
Pocket No.: 3; Query (leader) PDB : 5WKC; Ligand: FAD; 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: 5wkc.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5WKC; Ligand: FAD; 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: 5wkc.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5WKC; Ligand: F50; 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: 5wkc.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5WKC; Ligand: PXD; 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: 5wkc.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5WKC; Ligand: AUJ; Similar sites found with APoc: 38
This union binding pocket(no: 7) in the query (biounit: 5wkc.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 2VBF TPP 37.193
2 2VBF TPP 37.193
3 2NXW TPP 38.0531
4 2NXW TPP 38.0531
5 1ZPD DPX 41.0211
6 4D5G TPP 41.0866
7 4D5G FAD 41.0866
8 4D5G TPP 41.0866
9 4D5G FAD 41.0866
10 1OZH HE3 44.6996
11 1OZH HE3 44.6996
12 1OZH HE3 44.6996
13 1UPA TPP 44.8517
14 2IHT TPP 44.8517
15 1UPA TPP 44.8517
16 2IHT TPP 44.8517
17 2IHT TPP 44.8517
18 1UPA TPP 44.8517
19 1UPA TPP 44.8517
20 2IHT TPP 44.8517
21 2IHU TP9 45.0262
22 2IHU TP9 45.0262
23 2IHU TP9 45.0262
24 2IHU TP9 45.0262
25 3IAE D7K 45.0877
26 3IAE D7K 45.0877
27 2UZ1 TPP 45.6483
28 2UZ1 TPP 45.6483
29 2UZ1 TPP 45.6483
30 2UZ1 TPP 45.6483
31 4RJK TPP 48.5114
32 4RJK TPP 48.5114
33 4RJK TPP 48.5114
34 4RJK TPP 48.5114
35 4RJK TPP 48.5114
36 4RJK TPP 48.5114
37 4RJK TPP 48.5114
38 4RJK TDL 48.5114
Pocket No.: 8; Query (leader) PDB : 5WKC; Ligand: FAD; 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: 5wkc.bio2) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5WKC; Ligand: PXD; 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: 5wkc.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5WKC; Ligand: TP9; Similar sites found with APoc: 41
This union binding pocket(no: 10) in the query (biounit: 5wkc.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1QPB TPP 36.7673
2 2VK4 TPP 36.9449
3 2VK4 TPP 36.9449
4 2VBF TPP 37.193
5 2VBF TPP 37.193
6 2NXW TPP 38.0531
7 2NXW TPP 38.0531
8 1ZPD DPX 41.0211
9 1ZPD DPX 41.0211
10 1ZPD DPX 41.0211
11 1ZPD DPX 41.0211
12 4D5G TPP 41.0866
13 4D5G FAD 41.0866
14 4D5G FAD 41.0866
15 4D5G TPP 41.0866
16 6QSI TPP 44.3182
17 6QSI TPP 44.3182
18 1OZH HE3 44.6996
19 1OZH HE3 44.6996
20 1UPA TPP 44.8517
21 1UPA TPP 44.8517
22 1UPA TPP 44.8517
23 2IHT TPP 44.8517
24 2IHT TPP 44.8517
25 2IHT TPP 44.8517
26 1UPA TPP 44.8517
27 2IHT TPP 44.8517
28 3IAE D7K 45.0877
29 3IAE D7K 45.0877
30 2UZ1 TPP 45.6483
31 2UZ1 TPP 45.6483
32 2UZ1 TPP 45.6483
33 2UZ1 TPP 45.6483
34 4RJK TPP 48.5114
35 4RJK TPP 48.5114
36 4RJK TPP 48.5114
37 4RJK TPP 48.5114
38 4RJK TPP 48.5114
39 4RJK TPP 48.5114
40 4RJK TPP 48.5114
41 4RJK TDL 48.5114
Pocket No.: 11; Query (leader) PDB : 5WKC; Ligand: TP9; Similar sites found with APoc: 41
This union binding pocket(no: 11) in the query (biounit: 5wkc.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1QPB TPP 36.7673
2 2VK4 TPP 36.9449
3 2VK4 TPP 36.9449
4 2VBF TPP 37.193
5 2VBF TPP 37.193
6 2NXW TPP 38.0531
7 2NXW TPP 38.0531
8 1ZPD DPX 41.0211
9 1ZPD DPX 41.0211
10 1ZPD DPX 41.0211
11 1ZPD DPX 41.0211
12 4D5G TPP 41.0866
13 4D5G FAD 41.0866
14 4D5G FAD 41.0866
15 4D5G TPP 41.0866
16 6QSI TPP 44.3182
17 6QSI TPP 44.3182
18 1OZH HE3 44.6996
19 1OZH HE3 44.6996
20 1UPA TPP 44.8517
21 1UPA TPP 44.8517
22 2IHT TPP 44.8517
23 1UPA TPP 44.8517
24 2IHT TPP 44.8517
25 2IHT TPP 44.8517
26 1UPA TPP 44.8517
27 2IHT TPP 44.8517
28 3IAE D7K 45.0877
29 3IAE D7K 45.0877
30 2UZ1 TPP 45.6483
31 2UZ1 TPP 45.6483
32 2UZ1 TPP 45.6483
33 2UZ1 TPP 45.6483
34 4RJK TPP 48.5114
35 4RJK TPP 48.5114
36 4RJK TPP 48.5114
37 4RJK TPP 48.5114
38 4RJK TPP 48.5114
39 4RJK TPP 48.5114
40 4RJK TPP 48.5114
41 4RJK TDL 48.5114
Pocket No.: 12; Query (leader) PDB : 5WKC; Ligand: PXD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 5wkc.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 5WKC; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 5wkc.bio2) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 5WKC; Ligand: F50; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 5wkc.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 5WKC; Ligand: F50; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 5wkc.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback