Receptor
PDB id Resolution Class Description Source Keywords
6XXY 2.09 Å EC: 1.1.1.85 CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE 3-ISOPROPYLMALAT DEHYDROGENASE IN COMPLEX WITH O-ISOBUTENYL OXALYLHYDROXAMAT HAEMOPHILUS INFLUENZAE (STRAIN ATCC 5111121 / KW20 / RD) HAEMOPHILUS INFLUENZAE LEUCINE BIOSYNTHETIS 3-ISOPROPYLMALDEHYDROGENASE INHIBITOR OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE 3-ISOPROPYLMALATE DEHYDROGENASE (LEUB) IN COMPLEX W INHIBITOR O-ISOBUTENYL OXALYLHYDROXAMATE. BIOCHEM.BIOPHYS.RES.COMMUN. V. 524 996 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:403;
A:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
O45 B:402;
A:404;
Valid;
Valid;
none;
none;
ic50 = 2.9 uM
159.14 C6 H9 N O4 CC(=C...
NAD B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6XXY 2.09 Å EC: 1.1.1.85 CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE 3-ISOPROPYLMALAT DEHYDROGENASE IN COMPLEX WITH O-ISOBUTENYL OXALYLHYDROXAMAT HAEMOPHILUS INFLUENZAE (STRAIN ATCC 5111121 / KW20 / RD) HAEMOPHILUS INFLUENZAE LEUCINE BIOSYNTHETIS 3-ISOPROPYLMALDEHYDROGENASE INHIBITOR OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE 3-ISOPROPYLMALATE DEHYDROGENASE (LEUB) IN COMPLEX W INHIBITOR O-ISOBUTENYL OXALYLHYDROXAMATE. BIOCHEM.BIOPHYS.RES.COMMUN. V. 524 996 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6XXY ic50 = 2.9 uM O45 C6 H9 N O4 CC(=C)CONC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6XXY ic50 = 2.9 uM O45 C6 H9 N O4 CC(=C)CONC....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4Y1P - IPM C7 H12 O5 CC(C)[C@@H....
2 6XXY ic50 = 2.9 uM O45 C6 H9 N O4 CC(=C)CONC....
3 1A05 - IPM C7 H12 O5 CC(C)[C@@H....
4 5J32 Kd = 8.3 uM IPM C7 H12 O5 CC(C)[C@@H....
5 3TY3 - GGG C6 H11 N3 O4 C(C(=O)NCC....
6 2Y42 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 2Y41 - IPM C7 H12 O5 CC(C)[C@@H....
8 1HEX Ki = 614.6 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 5HN6 - IPM C7 H12 O5 CC(C)[C@@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: O45; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 O45 1 1
Ligand no: 2; Ligand: NAD; Similar ligands found: 251
No: Ligand ECFP6 Tc MDL keys Tc
1 NAD IBO 0.885714 0.985915
2 NAD TDB 0.885714 0.985915
3 A3D 0.872727 0.986111
4 NHD 0.821429 0.972222
5 NAP 0.811966 0.986111
6 NFD 0.791304 0.946667
7 DND 0.765766 0.972603
8 AMP NAD 0.74359 0.972222
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 NDE 0.689922 0.972603
15 NAJ 0.683333 0.972222
16 NDC 0.679389 0.934211
17 NDO 0.674603 0.958904
18 N01 0.656 0.972222
19 CNA 0.642276 0.972603
20 NBP 0.621212 0.922078
21 NAD BBN 0.609929 0.876543
22 8ID 0.609756 0.922078
23 NAD CJ3 0.601399 0.845238
24 ADP MG 0.584906 0.957747
25 ADP BEF 0.584906 0.957747
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BA3 0.566038 0.958333
30 NAD NDT 0.565789 0.755319
31 M33 0.564815 0.918919
32 ADP PO3 0.563636 0.957747
33 ATP MG 0.563636 0.957747
34 AP5 0.560748 0.958333
35 B4P 0.560748 0.958333
36 BEF ADP 0.558559 0.931507
37 VO4 ADP 0.557522 0.932432
38 AT4 0.555556 0.894737
39 AN2 0.555556 0.918919
40 GAP 0.553571 0.932432
41 OOB 0.551724 0.972222
42 CA0 0.550459 0.932432
43 9JJ 0.546053 0.898734
44 ATP 0.545455 0.931507
45 HEJ 0.545455 0.931507
46 ACP 0.545455 0.906667
47 KG4 0.545455 0.932432
48 DQV 0.544 0.972222
49 ALF ADP 0.54386 0.883117
50 ANP MG 0.54386 0.945205
51 DAL AMP 0.543103 0.945205
52 8LQ 0.543103 0.92
53 AQP 0.540541 0.931507
54 APR 0.540541 0.931507
55 AR6 0.540541 0.931507
56 5FA 0.540541 0.931507
57 AGS 0.535714 0.883117
58 AD9 0.535714 0.906667
59 WAQ 0.533333 0.896104
60 ABM 0.53271 0.905405
61 45A 0.53271 0.905405
62 QA7 0.529915 0.907895
63 DLL 0.529412 0.972222
64 00A 0.529412 0.921053
65 AMP MG 0.528302 0.943662
66 ANP 0.526316 0.906667
67 NJP 0.526316 0.959459
68 ACQ 0.526316 0.906667
69 OAD 0.525 0.932432
70 ADX 0.522523 0.839506
71 8LE 0.521739 0.907895
72 5AL 0.521739 0.945205
73 A1R 0.521008 0.871795
74 9SN 0.520325 0.909091
75 A 0.518868 0.930556
76 AMP 0.518868 0.930556
77 50T 0.517857 0.893333
78 ATF 0.517241 0.894737
79 3OD 0.516393 0.932432
80 1ZZ 0.516393 0.851852
81 SON 0.513514 0.92
82 PRX 0.513274 0.881579
83 SRP 0.512821 0.92
84 8LH 0.512821 0.92
85 6YZ 0.512821 0.906667
86 3UK 0.512397 0.958904
87 9X8 0.512397 0.883117
88 ADP BMA 0.512397 0.932432
89 MYR AMP 0.512195 0.851852
90 NAJ PZO 0.510949 0.909091
91 NMN 0.509434 0.875
92 HQG 0.508475 0.918919
93 A3R 0.508333 0.871795
94 B5V 0.508197 0.945946
95 AMP DBH 0.507937 0.906667
96 A22 0.504202 0.945205
97 JNT 0.504132 0.906667
98 FA5 0.504 0.945946
99 ATP A 0.504 0.971831
100 ATP A A A 0.504 0.971831
101 B5M 0.504 0.933333
102 8QN 0.5 0.945205
103 NAX 0.496183 0.886076
104 PR8 0.495935 0.8625
105 ADQ 0.495868 0.932432
106 AMO 0.495868 0.92
107 4AD 0.495868 0.933333
108 PAJ 0.495868 0.873418
109 V2G 0.495726 0.884615
110 APC MG 0.495652 0.931507
111 A12 0.495495 0.894737
112 AP2 0.495495 0.894737
113 ALF ADP 3PG 0.492424 0.873418
114 AHZ 0.492308 0.851852
115 FYA 0.491935 0.918919
116 AHX 0.491803 0.884615
117 4UU 0.488372 0.933333
118 5SV 0.487603 0.8375
119 T99 0.487179 0.894737
120 TAT 0.487179 0.894737
121 APC 0.486957 0.894737
122 SRA 0.486239 0.881579
123 6V0 0.484848 0.909091
124 NAI 0.484848 0.921053
125 GTA 0.484615 0.898734
126 LAD 0.483871 0.873418
127 AU1 0.482456 0.906667
128 F2R 0.481752 0.831325
129 TXE 0.481203 0.921053
130 OMR 0.481203 0.841463
131 AF3 ADP 3PG 0.481203 0.873418
132 LAQ 0.480916 0.851852
133 G3A 0.48062 0.909091
134 B5Y 0.480315 0.933333
135 NB8 0.48 0.884615
136 TXA 0.48 0.92
137 BIS 0.48 0.871795
138 PTJ 0.48 0.884615
139 ME8 0.48 0.851852
140 139 0.477941 0.886076
141 LPA AMP 0.477273 0.851852
142 G5P 0.476923 0.909091
143 AFH 0.476923 0.873418
144 AR6 AR6 0.476923 0.958333
145 ARG AMP 0.476923 0.841463
146 25L 0.47619 0.945205
147 NAJ PYZ 0.475524 0.864198
148 9ZA 0.47541 0.896104
149 9ZD 0.47541 0.896104
150 OZV 0.47541 0.931507
151 25A 0.47541 0.958333
152 DZD 0.47482 0.897436
153 TXD 0.473684 0.921053
154 4UV 0.472868 0.933333
155 TYM 0.470149 0.945946
156 ADV 0.470085 0.894737
157 RBY 0.470085 0.894737
158 A7R 0.469231 0.857143
159 KMQ 0.46875 0.894737
160 4TA 0.467626 0.864198
161 48N 0.466165 0.884615
162 XAH 0.465116 0.851852
163 4UW 0.462687 0.897436
164 M24 0.461538 0.886076
165 80F 0.460993 0.853659
166 IOT 0.459854 0.821429
167 T5A 0.456522 0.853659
168 L3W 0.455882 0.92
169 EAD 0.455782 0.886076
170 MAP 0.455285 0.883117
171 GA7 0.454545 0.894737
172 BT5 0.453901 0.821429
173 A4P 0.452555 0.833333
174 UP5 0.451852 0.933333
175 PAP 0.445378 0.917808
176 AP0 0.445255 0.884615
177 4TC 0.445255 0.909091
178 YLP 0.444444 0.831325
179 P1H 0.443709 0.864198
180 AOC 0.442478 0.810811
181 Z5A 0.439189 0.833333
182 LMS 0.4375 0.817073
183 2A5 0.436975 0.857143
184 COD 0.43662 0.802326
185 ADJ 0.435714 0.841463
186 YLC 0.434783 0.851852
187 YLB 0.434783 0.831325
188 ATR 0.433333 0.90411
189 7MD 0.432836 0.851852
190 8X1 0.432 0.764045
191 G5A 0.429752 0.790698
192 PO4 PO4 A A A A PO4 0.429688 0.943662
193 TAD 0.42963 0.873418
194 D4F 0.428571 0.875
195 5AS 0.42735 0.770115
196 BTX 0.426573 0.831325
197 YLA 0.425532 0.831325
198 DSZ 0.425197 0.790698
199 NCN 0.424779 0.805556
200 UPA 0.42446 0.921053
201 8PZ 0.424242 0.811765
202 VMS 0.424 0.8
203 54H 0.424 0.8
204 9K8 0.423077 0.744444
205 N0B 0.422819 0.853659
206 6AD 0.422764 0.85
207 AYB 0.422535 0.821429
208 7D3 0.422414 0.844156
209 YLY 0.421769 0.821429
210 TSB 0.420635 0.809524
211 ODP 0.41958 0.922078
212 A5A 0.419355 0.819277
213 FB0 0.419355 0.775281
214 AV2 0.419355 0.855263
215 NNR 0.419048 0.739726
216 LEU LMS 0.418605 0.761364
217 649 0.417266 0.775281
218 H1Q 0.416667 0.917808
219 NMN AMP PO4 0.416667 0.933333
220 SSA 0.416 0.790698
221 P5A 0.415385 0.755556
222 LSS 0.414062 0.772727
223 52H 0.412698 0.790698
224 A2R 0.412698 0.918919
225 JB6 0.412214 0.896104
226 5N5 0.411215 0.783784
227 YSA 0.410448 0.811765
228 B1U 0.410448 0.786517
229 53H 0.409449 0.790698
230 5CA 0.409449 0.790698
231 ITT 0.408333 0.878378
232 7D4 0.408333 0.844156
233 NA7 0.407692 0.894737
234 5CD 0.407407 0.794521
235 0WD 0.406897 0.909091
236 A3P 0.40678 0.930556
237 HFD 0.406504 0.883117
238 JSQ 0.406504 0.883117
239 AVV 0.40625 0.860759
240 RAB 0.40566 0.808219
241 XYA 0.40566 0.808219
242 ADN 0.40566 0.808219
243 FDA 0.405063 0.823529
244 CUU 0.404959 0.905405
245 V47 0.404762 0.821918
246 GSU 0.40458 0.790698
247 7MC 0.404255 0.831325
248 NSS 0.403101 0.811765
249 6FA 0.402516 0.853659
250 PPS 0.4 0.817073
251 NVA LMS 0.4 0.784091
Similar Ligands (3D)
Ligand no: 1; Ligand: O45; Similar ligands found: 378
No: Ligand Similarity coefficient
1 AKG 0.9699
2 OOG 0.9692
3 2HG 0.9558
4 DGL 0.9551
5 2IT 0.9550
6 11C 0.9536
7 GLU 0.9521
8 SME 0.9519
9 OGA 0.9493
10 GLN 0.9489
11 LYS 0.9471
12 AHN 0.9426
13 S8V 0.9425
14 HIS 0.9425
15 TIH 0.9415
16 650 0.9410
17 Q9Z 0.9375
18 DLY 0.9374
19 7OD 0.9369
20 TYR 0.9368
21 HHI 0.9360
22 PBA 0.9356
23 UN1 0.9355
24 S2G 0.9354
25 3LR 0.9344
26 DGN 0.9343
27 SYM 0.9343
28 IAR 0.9342
29 3PG 0.9331
30 TYL 0.9330
31 8SZ 0.9324
32 0L1 0.9324
33 GGL 0.9321
34 HG3 0.9319
35 LYN 0.9312
36 ORN 0.9307
37 TYE 0.9294
38 SEP 0.9276
39 J9T 0.9275
40 GJZ 0.9260
41 HHH 0.9260
42 ALE 0.9251
43 PMF 0.9247
44 GUA 0.9245
45 PRA 0.9234
46 M6H 0.9232
47 PPY 0.9223
48 MET 0.9222
49 PBN 0.9218
50 AG2 0.9213
51 J9N 0.9209
52 NIZ 0.9208
53 LDP 0.9201
54 3QO 0.9199
55 NMH 0.9198
56 CCU 0.9196
57 GVA 0.9195
58 DIR 0.9192
59 DHY 0.9192
60 M45 0.9186
61 2FM 0.9182
62 1BN 0.9179
63 GGB 0.9178
64 MLZ 0.9177
65 ISZ 0.9177
66 I4B 0.9172
67 M3H 0.9172
68 069 0.9171
69 3H2 0.9167
70 DHR 0.9164
71 SLZ 0.9163
72 B40 0.9162
73 HC4 0.9161
74 HL4 0.9157
75 7C3 0.9155
76 PHE 0.9154
77 64Z 0.9153
78 API 0.9146
79 DEZ 0.9142
80 ARG 0.9141
81 9ON 0.9141
82 E4P 0.9136
83 ONH 0.9131
84 0VT 0.9128
85 PEA 0.9124
86 AEG 0.9121
87 AOT 0.9118
88 F4E 0.9115
89 BHH 0.9108
90 NFA 0.9107
91 HFA 0.9106
92 56D 0.9104
93 5OY 0.9098
94 F06 0.9098
95 271 0.9098
96 CFI 0.9097
97 TPA 0.9095
98 KPA 0.9091
99 LT1 0.9090
100 B3U 0.9089
101 13P 0.9088
102 XDK 0.9085
103 5XA 0.9085
104 N4B 0.9085
105 RNO 0.9076
106 NYL 0.9075
107 4HP 0.9075
108 263 0.9075
109 KDG 0.9074
110 GPJ 0.9067
111 AEF 0.9066
112 4LV 0.9060
113 A5E 0.9059
114 DAR 0.9059
115 SSC 0.9057
116 VXX 0.9056
117 GOJ 0.9049
118 AX3 0.9049
119 ZZU 0.9048
120 ILO 0.9048
121 OSE 0.9045
122 NNH 0.9045
123 G3H 0.9044
124 HPV 0.9040
125 MSL 0.9038
126 CIR 0.9037
127 NCT 0.9035
128 ZGL 0.9034
129 RNS 0.9032
130 A3M 0.9031
131 8GL 0.9028
132 PNZ 0.9026
133 LNR 0.9026
134 GLR 0.9026
135 BNL 0.9024
136 CTV 0.9023
137 ENW 0.9019
138 OTR 0.9014
139 SSB 0.9013
140 MED 0.9013
141 NF3 0.9011
142 HIC 0.9010
143 3HG 0.9009
144 1N5 0.9007
145 HPN 0.9006
146 BPW 0.9001
147 HSX 0.8999
148 AT3 0.8998
149 N6C 0.8998
150 7UC 0.8998
151 MSR 0.8996
152 XRX 0.8995
153 DXG 0.8991
154 3OL 0.8990
155 RNT 0.8989
156 NLE 0.8989
157 42J 0.8988
158 5WZ 0.8986
159 HGA 0.8983
160 6XA 0.8982
161 4BF 0.8978
162 5XB 0.8975
163 2JJ 0.8974
164 EOU 0.8973
165 258 0.8968
166 OCA 0.8968
167 4VY 0.8967
168 3OM 0.8967
169 E79 0.8967
170 F90 0.8966
171 HSO 0.8964
172 P80 0.8962
173 LGT 0.8962
174 SAF 0.8961
175 MLY 0.8958
176 ACA 0.8956
177 I2E 0.8954
178 RJY 0.8953
179 YPN 0.8951
180 K7M 0.8951
181 RBJ 0.8951
182 JX7 0.8950
183 KQY 0.8950
184 3YP 0.8949
185 GPF 0.8949
186 MEQ 0.8947
187 DPN 0.8946
188 152 0.8945
189 PML 0.8944
190 CCE 0.8942
191 QBM 0.8942
192 BL0 0.8940
193 M5E 0.8940
194 FK8 0.8937
195 AOS 0.8934
196 SOR 0.8934
197 54F 0.8934
198 49F 0.8929
199 011 0.8929
200 2FT 0.8929
201 GVG 0.8928
202 ENO 0.8926
203 3C4 0.8924
204 4LW 0.8923
205 URP 0.8922
206 CS2 0.8921
207 L99 0.8920
208 YRL 0.8920
209 DHC 0.8920
210 KMT 0.8919
211 FUD 0.8919
212 H4E 0.8915
213 LUQ 0.8915
214 DHI 0.8908
215 SHI 0.8901
216 NM2 0.8901
217 HDH 0.8894
218 DER 0.8893
219 RP5 0.8892
220 2LP 0.8890
221 HL5 0.8887
222 DZA 0.8887
223 K6V 0.8885
224 RUY 0.8882
225 EN1 0.8881
226 CEE 0.8880
227 ALA ALA 0.8878
228 GP9 0.8875
229 SNU 0.8874
230 14W 0.8873
231 MF3 0.8869
232 B3M 0.8867
233 GRQ 0.8867
234 MTL 0.8866
235 1LN 0.8865
236 GLY GLY 0.8862
237 LTL 0.8862
238 XRS 0.8862
239 36M 0.8861
240 4PN 0.8860
241 16D 0.8855
242 PG0 0.8855
243 R9M 0.8854
244 DAH 0.8852
245 SHO 0.8851
246 MP5 0.8848
247 QY9 0.8847
248 MHN 0.8844
249 CCD 0.8842
250 PEL 0.8842
251 PAC 0.8836
252 ONL 0.8833
253 HXY 0.8831
254 BSX 0.8831
255 41K 0.8830
256 Z70 0.8830
257 SHV 0.8829
258 TYC 0.8828
259 JFJ 0.8821
260 KMH 0.8815
261 CHH 0.8815
262 AAN 0.8812
263 CUW 0.8812
264 9W5 0.8811
265 N2Y 0.8811
266 58X 0.8810
267 SOL 0.8809
268 G3P 0.8809
269 ATX 0.8808
270 GVM 0.8808
271 C53 0.8808
272 PC 0.8808
273 6HN 0.8807
274 QFJ 0.8799
275 S2P 0.8799
276 5RP 0.8799
277 EGV 0.8798
278 DTY 0.8795
279 URO 0.8794
280 26P 0.8793
281 B41 0.8792
282 6NA 0.8788
283 TZL 0.8788
284 7BC 0.8782
285 3VW 0.8781
286 CH9 0.8778
287 RLG 0.8777
288 DHH 0.8776
289 NPI 0.8776
290 EQW 0.8776
291 Q04 0.8775
292 2UB 0.8775
293 6Q3 0.8775
294 SB7 0.8770
295 8XL 0.8768
296 JRB 0.8765
297 CLU 0.8765
298 HNL 0.8764
299 6C5 0.8757
300 ABF 0.8749
301 ENV 0.8747
302 4FP 0.8746
303 DXP 0.8743
304 M4T 0.8741
305 RTK 0.8741
306 BZQ 0.8740
307 NMM 0.8739
308 LFC 0.8736
309 LLH 0.8732
310 DX5 0.8726
311 IP8 0.8726
312 OKG 0.8725
313 DHM 0.8724
314 D3G 0.8722
315 0QW 0.8721
316 HX8 0.8718
317 5SP 0.8718
318 QME 0.8715
319 FOM 0.8714
320 QH3 0.8707
321 XQI 0.8698
322 GAE 0.8696
323 XDE 0.8695
324 TAG 0.8693
325 PSJ 0.8690
326 AHL 0.8684
327 NFM 0.8681
328 1HS 0.8680
329 3BU 0.8679
330 SOJ 0.8679
331 MSE 0.8678
332 11X 0.8676
333 GNW 0.8671
334 CH8 0.8671
335 PGH 0.8670
336 Q06 0.8670
337 OCT 0.8668
338 ZZ2 0.8668
339 AEH 0.8667
340 JZ4 0.8666
341 HF2 0.8663
342 TZM 0.8656
343 492 0.8655
344 FBJ 0.8655
345 BHO 0.8651
346 F98 0.8650
347 BRH 0.8649
348 EDR 0.8649
349 FIX 0.8647
350 MJ5 0.8642
351 SDD 0.8638
352 4LR 0.8637
353 FPL 0.8632
354 YF3 0.8632
355 DAV 0.8628
356 261 0.8625
357 E35 0.8621
358 4MB 0.8618
359 9SE 0.8617
360 NM3 0.8617
361 PRY 0.8595
362 F9P 0.8590
363 KTJ 0.8584
364 S7G 0.8584
365 1H1 0.8583
366 Y4L 0.8580
367 EGR 0.8578
368 HY1 0.8572
369 HJH 0.8560
370 LPK 0.8557
371 6TZ 0.8547
372 J0Z 0.8544
373 1Z6 0.8544
374 2DL 0.8538
375 GLY ALA 0.8537
376 1FD 0.8531
377 H7Y 0.8529
378 K6H 0.8526
Ligand no: 2; Ligand: NAD; Similar ligands found: 4
No: Ligand Similarity coefficient
1 NAD 1.0000
2 NDP 0.9403
3 TXP 0.8813
4 NZQ 0.8708
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6XXY; Ligand: O45; 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: 6xxy.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6XXY; Ligand: NAD; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 6xxy.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 2D4V NAD 48.8827
2 2D4V NAD 48.8827
3 2D4V NAD 48.8827
4 2D4V NAD 48.8827
Pocket No.: 3; Query (leader) PDB : 6XXY; Ligand: O45; 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: 6xxy.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6XXY; Ligand: NAD; Similar sites found with APoc: 4
This union binding pocket(no: 4) in the query (biounit: 6xxy.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 2D4V NAD 48.8827
2 2D4V NAD 48.8827
3 2D4V NAD 48.8827
4 2D4V NAD 48.8827
APoc FAQ
Feedback