Receptor
PDB id Resolution Class Description Source Keywords
4g47 1.34 Å EC: 1.14.-.- STRUCTURE OF CYTOCHROME P450 CYP121 IN COMPLEX WITH 4-(1H-1, TRIAZOL-1-YL)PHENOL MYCOBACTERIUM TUBERCULOSIS P450 OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: APPLICATION OF FRAGMENT SCREENING AND MERGING TO TH DISCOVERY OF INHIBITORS OF THE MYCOBACTERIUM TUBERC CYTOCHROME P450 CYP121 ANGEW.CHEM.INT.ED.ENGL. V. 51 9311 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:401;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
SO4 A:402;
A:403;
A:404;
A:405;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
TZF A:406;
Valid;
none;
Kd ~ 1.7 mM
161.161 C8 H7 N3 O c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RQ8 1.41 Å EC: 1.14.-.- CYP121 IN COMPLEX WITH 3-IODO DICYCLOTYROSINE MYCOBACTERIUM TUBERCULOSIS CYP121 P450 DICYCLOTYROSINE DERIVATIVES HEME OXIDOREDUCT
Ref.: STRUCTURE-ACTIVITY RELATIONSHIPS OF CYCLO (L-TYROSYL-L-TYROSINE) DERIVATIVES BINDING TO MYCOB TUBERCULOSIS CYP121: IODINATED ANALOGUES PROMOTE SH HIGH-SPIN ADDUCT. J.MED.CHEM. V. 62 9792 2019
Members (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4G45 Kd = 400 uM MQN C10 H10 N2 Cc1ccc2cc(....
2 4IQ7 Kd = 1561 uM 1G9 C12 H14 N2 O3 C[C@H]1C(=....
3 5IBF Kd = 140 uM 69W C15 H14 N4 c1cc(cc(c1....
4 4IPW Kd = 14.5 uM 1G7 C18 H18 N2 O5 c1cc(ccc1C....
5 5IBD - GGJ C22 H20 N4 O COc1ccc(cc....
6 4G46 Kd ~ 3 mM TTY C9 H8 O4 c1c(c2c(o1....
7 4IPS Kd = 657 uM 1G4 C18 H20 N2 O3 c1cc(ccc1C....
8 5IBG Kd = 4.5 uM 69S C21 H18 N4 O2 c1cc(cc(c1....
9 6GEO Kd = 3.31 uM EW2 C21 H16 Cl N5 c1ccc(cc1)....
10 4KTJ Kd = 1.9 mM KTJ C9 H9 N3 O c1cc(ccc1c....
11 6GEQ Kd = 218.6 uM EW5 C21 H17 N5 O c1ccc(cc1)....
12 5OPA Kd = 4.16 uM A2W C19 H15 F N4 c1ccc(cc1)....
13 6RQ5 Kd = 15.1 uM KEB C20 H22 N2 O4 Cc1cc(cc(c....
14 6RQ0 Kd = 1.1 uM KE2 C19 H20 N2 O4 Cc1cc(ccc1....
15 4KTK Kd = 180 uM KTK C15 H13 N3 O3 c1cc(ccc1c....
16 5IBH Kd = 275 uM 69R C19 H17 N5 O2 c1cc(ccc1c....
17 5O4L - 9KB C17 H21 F N4 O c1cc(ccc1C....
18 4KTF Kd = 40 uM 1TM C15 H13 N3 O2 c1cc(ccc1c....
19 4IQ9 Kd = 39 uM 1GB C20 H19 N3 O3 c1ccc2c(c1....
20 4ICT Kd = 45.6 uM 1ED C18 H18 N2 O3 c1ccc(cc1)....
21 5IBI Kd = 6.3 uM 69U C22 H19 N3 O3 c1cc(ccc1C....
22 4KTL Kd = 15 uM 1CQ C21 H17 N3 O3 c1cc(ccc1c....
23 6RQ9 Kd = 10.4 uM KEQ C19 H20 N2 O4 COc1ccc(cc....
24 5OP9 Kd = 11.4 uM BZ6 C20 H18 N4 O COc1ccc(cc....
25 5O4K - 9KE C17 H21 Cl N4 O c1cc(ccc1C....
26 6RQ3 - OUC C20 H22 N2 O4 Cc1cc(cc(c....
27 6RQD Kd = 1.5 uM KEW C18 H17 Cl N2 O4 c1cc(ccc1C....
28 6RQ8 Kd = 0.28 uM KEH C18 H17 I N2 O4 c1cc(ccc1C....
29 6RQE - KEZ C20 H18 N2 O4 C#Cc1cc(cc....
30 4G44 Kd = 1.6 mM TZM C9 H10 N4 c1cc(cc(c1....
31 6RQ1 Kd = 39.8 uM KE5 C19 H20 N2 O4 Cc1cc(ccc1....
32 1N4G - PYZ C3 H3 I N2 c1c(cn[nH]....
33 4G1X Kd = 28 uM TQU C11 H9 N5 c1cc2c(cc1....
34 5EDT Kd = 3.4 mM 5MK C7 H7 Cl N2 O c1cc(c(cc1....
35 4G48 Kd = 500 uM PZB C15 H12 N2 O3 c1ccc(cc1)....
36 6RQ6 Kd = 12.8 uM R2H C18 H17 F N2 O4 c1cc(ccc1C....
37 6RQB Kd = 0.46 uM Q47 C18 H17 Br N2 O4 c1cc(ccc1C....
38 5IBE Kd = 0.74 uM 69M C21 H18 N4 O c1cc(cc(c1....
39 4G2G Kd ~ 2.8 mM TDH C14 H11 N3 O2 c1cc(ccc1c....
40 5WP2 Kd = 10.5 uM YTT C18 H18 N2 O4 c1cc(ccc1C....
41 4G47 Kd ~ 1.7 mM TZF C8 H7 N3 O c1cc(ccc1n....
42 2IJ7 Kd = 5 uM TPF C13 H12 F2 N6 O c1cc(c(cc1....
70% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4G45 Kd = 400 uM MQN C10 H10 N2 Cc1ccc2cc(....
2 4IQ7 Kd = 1561 uM 1G9 C12 H14 N2 O3 C[C@H]1C(=....
3 5IBF Kd = 140 uM 69W C15 H14 N4 c1cc(cc(c1....
4 4IPW Kd = 14.5 uM 1G7 C18 H18 N2 O5 c1cc(ccc1C....
5 5IBD - GGJ C22 H20 N4 O COc1ccc(cc....
6 4G46 Kd ~ 3 mM TTY C9 H8 O4 c1c(c2c(o1....
7 4IPS Kd = 657 uM 1G4 C18 H20 N2 O3 c1cc(ccc1C....
8 5IBG Kd = 4.5 uM 69S C21 H18 N4 O2 c1cc(cc(c1....
9 6GEO Kd = 3.31 uM EW2 C21 H16 Cl N5 c1ccc(cc1)....
10 4KTJ Kd = 1.9 mM KTJ C9 H9 N3 O c1cc(ccc1c....
11 6GEQ Kd = 218.6 uM EW5 C21 H17 N5 O c1ccc(cc1)....
12 5OPA Kd = 4.16 uM A2W C19 H15 F N4 c1ccc(cc1)....
13 6RQ5 Kd = 15.1 uM KEB C20 H22 N2 O4 Cc1cc(cc(c....
14 6RQ0 Kd = 1.1 uM KE2 C19 H20 N2 O4 Cc1cc(ccc1....
15 4KTK Kd = 180 uM KTK C15 H13 N3 O3 c1cc(ccc1c....
16 5IBH Kd = 275 uM 69R C19 H17 N5 O2 c1cc(ccc1c....
17 5O4L - 9KB C17 H21 F N4 O c1cc(ccc1C....
18 4KTF Kd = 40 uM 1TM C15 H13 N3 O2 c1cc(ccc1c....
19 4IQ9 Kd = 39 uM 1GB C20 H19 N3 O3 c1ccc2c(c1....
20 4ICT Kd = 45.6 uM 1ED C18 H18 N2 O3 c1ccc(cc1)....
21 5IBI Kd = 6.3 uM 69U C22 H19 N3 O3 c1cc(ccc1C....
22 4KTL Kd = 15 uM 1CQ C21 H17 N3 O3 c1cc(ccc1c....
23 6RQ9 Kd = 10.4 uM KEQ C19 H20 N2 O4 COc1ccc(cc....
24 5OP9 Kd = 11.4 uM BZ6 C20 H18 N4 O COc1ccc(cc....
25 5O4K - 9KE C17 H21 Cl N4 O c1cc(ccc1C....
26 6RQ3 - OUC C20 H22 N2 O4 Cc1cc(cc(c....
27 6RQD Kd = 1.5 uM KEW C18 H17 Cl N2 O4 c1cc(ccc1C....
28 6RQ8 Kd = 0.28 uM KEH C18 H17 I N2 O4 c1cc(ccc1C....
29 6RQE - KEZ C20 H18 N2 O4 C#Cc1cc(cc....
30 4G44 Kd = 1.6 mM TZM C9 H10 N4 c1cc(cc(c1....
31 6RQ1 Kd = 39.8 uM KE5 C19 H20 N2 O4 Cc1cc(ccc1....
32 1N4G - PYZ C3 H3 I N2 c1c(cn[nH]....
33 4G1X Kd = 28 uM TQU C11 H9 N5 c1cc2c(cc1....
34 5EDT Kd = 3.4 mM 5MK C7 H7 Cl N2 O c1cc(c(cc1....
35 4G48 Kd = 500 uM PZB C15 H12 N2 O3 c1ccc(cc1)....
36 6RQ6 Kd = 12.8 uM R2H C18 H17 F N2 O4 c1cc(ccc1C....
37 6RQB Kd = 0.46 uM Q47 C18 H17 Br N2 O4 c1cc(ccc1C....
38 5IBE Kd = 0.74 uM 69M C21 H18 N4 O c1cc(cc(c1....
39 4G2G Kd ~ 2.8 mM TDH C14 H11 N3 O2 c1cc(ccc1c....
40 5WP2 Kd = 10.5 uM YTT C18 H18 N2 O4 c1cc(ccc1C....
41 4G47 Kd ~ 1.7 mM TZF C8 H7 N3 O c1cc(ccc1n....
42 2IJ7 Kd = 5 uM TPF C13 H12 F2 N6 O c1cc(c(cc1....
50% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4G45 Kd = 400 uM MQN C10 H10 N2 Cc1ccc2cc(....
2 4IQ7 Kd = 1561 uM 1G9 C12 H14 N2 O3 C[C@H]1C(=....
3 5IBF Kd = 140 uM 69W C15 H14 N4 c1cc(cc(c1....
4 4IPW Kd = 14.5 uM 1G7 C18 H18 N2 O5 c1cc(ccc1C....
5 5IBD - GGJ C22 H20 N4 O COc1ccc(cc....
6 4G46 Kd ~ 3 mM TTY C9 H8 O4 c1c(c2c(o1....
7 4IPS Kd = 657 uM 1G4 C18 H20 N2 O3 c1cc(ccc1C....
8 5IBG Kd = 4.5 uM 69S C21 H18 N4 O2 c1cc(cc(c1....
9 6GEO Kd = 3.31 uM EW2 C21 H16 Cl N5 c1ccc(cc1)....
10 4KTJ Kd = 1.9 mM KTJ C9 H9 N3 O c1cc(ccc1c....
11 6GEQ Kd = 218.6 uM EW5 C21 H17 N5 O c1ccc(cc1)....
12 5OPA Kd = 4.16 uM A2W C19 H15 F N4 c1ccc(cc1)....
13 6RQ5 Kd = 15.1 uM KEB C20 H22 N2 O4 Cc1cc(cc(c....
14 6RQ0 Kd = 1.1 uM KE2 C19 H20 N2 O4 Cc1cc(ccc1....
15 4KTK Kd = 180 uM KTK C15 H13 N3 O3 c1cc(ccc1c....
16 5IBH Kd = 275 uM 69R C19 H17 N5 O2 c1cc(ccc1c....
17 5O4L - 9KB C17 H21 F N4 O c1cc(ccc1C....
18 4KTF Kd = 40 uM 1TM C15 H13 N3 O2 c1cc(ccc1c....
19 4IQ9 Kd = 39 uM 1GB C20 H19 N3 O3 c1ccc2c(c1....
20 4ICT Kd = 45.6 uM 1ED C18 H18 N2 O3 c1ccc(cc1)....
21 5IBI Kd = 6.3 uM 69U C22 H19 N3 O3 c1cc(ccc1C....
22 4KTL Kd = 15 uM 1CQ C21 H17 N3 O3 c1cc(ccc1c....
23 6RQ9 Kd = 10.4 uM KEQ C19 H20 N2 O4 COc1ccc(cc....
24 5OP9 Kd = 11.4 uM BZ6 C20 H18 N4 O COc1ccc(cc....
25 5O4K - 9KE C17 H21 Cl N4 O c1cc(ccc1C....
26 6RQ3 - OUC C20 H22 N2 O4 Cc1cc(cc(c....
27 6RQD Kd = 1.5 uM KEW C18 H17 Cl N2 O4 c1cc(ccc1C....
28 6RQ8 Kd = 0.28 uM KEH C18 H17 I N2 O4 c1cc(ccc1C....
29 6RQE - KEZ C20 H18 N2 O4 C#Cc1cc(cc....
30 4G44 Kd = 1.6 mM TZM C9 H10 N4 c1cc(cc(c1....
31 6RQ1 Kd = 39.8 uM KE5 C19 H20 N2 O4 Cc1cc(ccc1....
32 1N4G - PYZ C3 H3 I N2 c1c(cn[nH]....
33 4G1X Kd = 28 uM TQU C11 H9 N5 c1cc2c(cc1....
34 5EDT Kd = 3.4 mM 5MK C7 H7 Cl N2 O c1cc(c(cc1....
35 4G48 Kd = 500 uM PZB C15 H12 N2 O3 c1ccc(cc1)....
36 6RQ6 Kd = 12.8 uM R2H C18 H17 F N2 O4 c1cc(ccc1C....
37 6RQB Kd = 0.46 uM Q47 C18 H17 Br N2 O4 c1cc(ccc1C....
38 5IBE Kd = 0.74 uM 69M C21 H18 N4 O c1cc(cc(c1....
39 4G2G Kd ~ 2.8 mM TDH C14 H11 N3 O2 c1cc(ccc1c....
40 5WP2 Kd = 10.5 uM YTT C18 H18 N2 O4 c1cc(ccc1C....
41 4G47 Kd ~ 1.7 mM TZF C8 H7 N3 O c1cc(ccc1n....
42 2IJ7 Kd = 5 uM TPF C13 H12 F2 N6 O c1cc(c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TZF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TZF 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TZF; Similar ligands found: 848
No: Ligand Similarity coefficient
1 SNU 1.0000
2 MSR 1.0000
3 CPZ 1.0000
4 C1M 0.9998
5 36Y 0.9873
6 PIM 0.9846
7 A5E 0.9817
8 KTJ 0.9783
9 PIY 0.9783
10 F4K 0.9704
11 HDH 0.9701
12 0BP 0.9659
13 1Z6 0.9648
14 BZ2 0.9642
15 TYL 0.9633
16 BNL 0.9632
17 F4E 0.9627
18 5LA 0.9618
19 J9Q 0.9604
20 ICB 0.9603
21 HNH 0.9598
22 CH9 0.9589
23 GVY 0.9586
24 4BZ 0.9565
25 2QC 0.9563
26 HX4 0.9557
27 J9N 0.9548
28 97T 0.9546
29 AN3 0.9545
30 IWT 0.9544
31 52C 0.9537
32 4ZA 0.9532
33 TCA 0.9532
34 PH3 0.9527
35 AOT 0.9526
36 4WL 0.9521
37 ANN 0.9521
38 36E 0.9518
39 M45 0.9503
40 4P5 0.9500
41 92G 0.9493
42 2HC 0.9487
43 PNZ 0.9485
44 PHB 0.9483
45 6TZ 0.9482
46 BP7 0.9480
47 X48 0.9479
48 OTR 0.9478
49 6KT 0.9476
50 RUY 0.9474
51 X0U 0.9468
52 E5X 0.9463
53 HQJ 0.9462
54 4LW 0.9461
55 PPY 0.9460
56 7VP 0.9459
57 R20 0.9458
58 HBD 0.9457
59 N2Z 0.9443
60 1IT 0.9440
61 L5V 0.9439
62 6NT 0.9437
63 HIS 0.9436
64 4BL 0.9433
65 GVG 0.9430
66 CWJ 0.9430
67 PAB 0.9425
68 94W 0.9425
69 9CA 0.9424
70 2HU 0.9422
71 PO6 0.9421
72 4MA 0.9418
73 BPN 0.9415
74 HHI 0.9413
75 5NI 0.9413
76 6NI 0.9412
77 80G 0.9408
78 4BY 0.9405
79 9FL 0.9404
80 3A9 0.9397
81 K34 0.9396
82 1Y6 0.9395
83 M3H 0.9394
84 SWX 0.9392
85 CLW 0.9392
86 1F1 0.9391
87 2ZM 0.9391
88 NPO 0.9389
89 3NY 0.9387
90 I3E 0.9387
91 HNL 0.9386
92 E3X 0.9386
93 HC4 0.9385
94 XIZ 0.9384
95 363 0.9383
96 4NB 0.9383
97 UNJ 0.9381
98 3ZB 0.9375
99 HNK 0.9374
100 PHU 0.9373
101 GO2 0.9371
102 K2T 0.9368
103 FZM 0.9366
104 SNO 0.9366
105 OQC 0.9361
106 PJW 0.9361
107 XCG 0.9360
108 3VS 0.9359
109 AKG 0.9359
110 0NX 0.9356
111 PBZ 0.9356
112 2HG 0.9354
113 JAW 0.9353
114 LQ2 0.9352
115 M4T 0.9350
116 N3W 0.9349
117 FBB 0.9343
118 826 0.9343
119 OGA 0.9341
120 4JQ 0.9339
121 JAH 0.9338
122 DE5 0.9337
123 6FZ 0.9337
124 CFI 0.9333
125 MQN 0.9329
126 15N 0.9328
127 9R5 0.9327
128 RA7 0.9327
129 JF6 0.9326
130 AMS 0.9323
131 S0E 0.9323
132 SW7 0.9322
133 FCR 0.9320
134 MPV 0.9320
135 JB8 0.9320
136 174 0.9318
137 7O4 0.9316
138 URO 0.9316
139 P72 0.9315
140 0JD 0.9315
141 S2G 0.9314
142 INO 0.9314
143 0TU 0.9312
144 5OB 0.9311
145 ET2 0.9311
146 8ZE 0.9310
147 ESP 0.9307
148 SQ4 0.9306
149 BPY 0.9306
150 Z82 0.9306
151 P81 0.9302
152 ESX 0.9301
153 JLZ 0.9300
154 4HB 0.9299
155 1WC 0.9298
156 3PF 0.9298
157 EN1 0.9297
158 GWM 0.9292
159 6SD 0.9291
160 SQ7 0.9287
161 3AE 0.9286
162 795 0.9286
163 J6W 0.9286
164 1M2 0.9283
165 TGX 0.9283
166 JDN 0.9281
167 KDG 0.9281
168 LR5 0.9279
169 FBF 0.9277
170 TT4 0.9277
171 TIU 0.9273
172 4LV 0.9272
173 4YO 0.9271
174 TSU 0.9271
175 S7J 0.9271
176 ENO 0.9270
177 0HN 0.9269
178 5QY 0.9262
179 FK8 0.9261
180 AC6 0.9260
181 NNO 0.9259
182 HCI 0.9258
183 DHB 0.9258
184 BZ3 0.9257
185 NCT 0.9255
186 15E 0.9254
187 VGD 0.9254
188 TPA 0.9253
189 VC3 0.9251
190 ISZ 0.9246
191 C82 0.9245
192 XDK 0.9239
193 173 0.9238
194 SN4 0.9236
195 428 0.9234
196 TMG 0.9230
197 4V2 0.9229
198 FHC 0.9225
199 D48 0.9224
200 8WO 0.9223
201 FHB 0.9223
202 BEA 0.9222
203 AEG 0.9221
204 YZM 0.9221
205 JG8 0.9220
206 AMH 0.9219
207 LNR 0.9219
208 RNO 0.9217
209 HHH 0.9216
210 ABI 0.9216
211 B1J 0.9215
212 FDR 0.9212
213 HF2 0.9211
214 A29 0.9208
215 DPN 0.9207
216 4NM 0.9205
217 2F6 0.9204
218 4A3 0.9204
219 ODO 0.9202
220 IHB 0.9201
221 CHB 0.9201
222 6RQ 0.9199
223 KBZ 0.9198
224 492 0.9197
225 HL4 0.9196
226 GUA 0.9193
227 PHE 0.9191
228 4J8 0.9191
229 PAC 0.9191
230 ES2 0.9189
231 X0V 0.9189
232 4NC 0.9188
233 3VQ 0.9188
234 NIZ 0.9187
235 BHO 0.9186
236 1A7 0.9183
237 93K 0.9181
238 L03 0.9179
239 E7S 0.9178
240 2HO 0.9173
241 3HM 0.9173
242 5XC 0.9173
243 50C 0.9172
244 FBS 0.9171
245 4I8 0.9171
246 E1T 0.9171
247 1L5 0.9167
248 L22 0.9165
249 5VM 0.9165
250 G3E 0.9163
251 MS9 0.9161
252 4JC 0.9160
253 ALE 0.9159
254 JRB 0.9159
255 EVF 0.9159
256 TYR 0.9157
257 1FD 0.9156
258 XX2 0.9155
259 EOU 0.9154
260 N2I 0.9152
261 SAN 0.9152
262 R2P 0.9150
263 P9P 0.9148
264 YRL 0.9144
265 KDV 0.9141
266 5TY 0.9141
267 6FB 0.9140
268 L14 0.9138
269 5VL 0.9133
270 J9T 0.9130
271 1P8 0.9128
272 M4S 0.9128
273 F9P 0.9126
274 0HO 0.9124
275 0F9 0.9123
276 2BG 0.9121
277 EXD 0.9120
278 GZ2 0.9118
279 MAJ 0.9117
280 4RU 0.9117
281 UA5 0.9117
282 MYJ 0.9117
283 GJP 0.9116
284 46P 0.9112
285 LLH 0.9111
286 1HN 0.9111
287 IFP 0.9110
288 I1E 0.9110
289 4FH 0.9107
290 SLS 0.9105
291 QSB 0.9103
292 L99 0.9103
293 ONR 0.9100
294 M5E 0.9099
295 NFA 0.9098
296 FBM 0.9098
297 TTL 0.9098
298 36R 0.9096
299 XIY 0.9091
300 A7H 0.9091
301 03V 0.9089
302 GT4 0.9086
303 HFA 0.9086
304 1XA 0.9085
305 BZJ 0.9085
306 G14 0.9084
307 A9P 0.9084
308 ZEC 0.9083
309 3R4 0.9083
310 DHR 0.9082
311 8XL 0.9080
312 SE2 0.9079
313 AA 0.9077
314 FMQ 0.9076
315 COU 0.9076
316 BVA 0.9076
317 JB5 0.9074
318 HSO 0.9074
319 H4E 0.9073
320 F9Y 0.9073
321 4NZ 0.9072
322 D3G 0.9072
323 J5I 0.9071
324 H42 0.9071
325 2FY 0.9067
326 CK2 0.9067
327 LJ3 0.9065
328 EYV 0.9064
329 27B 0.9063
330 SYV 0.9062
331 4SX 0.9062
332 OKG 0.9060
333 9TW 0.9057
334 4FS 0.9057
335 ES5 0.9054
336 RAT 0.9053
337 2AQ 0.9053
338 OCH 0.9053
339 657 0.9052
340 GF4 0.9050
341 ODK 0.9045
342 CTL 0.9042
343 54E 0.9041
344 SKM 0.9040
345 QIV 0.9039
346 LR8 0.9038
347 ZYR 0.9037
348 LVD 0.9035
349 SOR 0.9035
350 AAS 0.9033
351 OK7 0.9033
352 12T 0.9033
353 E4P 0.9031
354 HA5 0.9031
355 8NB 0.9030
356 61M 0.9029
357 DDU 0.9029
358 9ZE 0.9028
359 DRG 0.9028
360 MAH 0.9027
361 HPS 0.9027
362 6QF 0.9025
363 GDE 0.9025
364 5WZ 0.9024
365 GLU 0.9022
366 ZZA 0.9022
367 8OZ 0.9021
368 IV2 0.9019
369 4M0 0.9018
370 ANF 0.9018
371 NAG 0.9017
372 TYC 0.9017
373 ABV 0.9015
374 3QV 0.9015
375 39O 0.9014
376 C53 0.9013
377 QBP 0.9011
378 S2P 0.9008
379 RKV 0.9008
380 1VK 0.9007
381 LO1 0.9006
382 S0D 0.9006
383 069 0.9006
384 M5H 0.9006
385 XRG 0.9006
386 2MI 0.9004
387 2BX 0.9003
388 6ZX 0.8999
389 DHY 0.8998
390 259 0.8996
391 9FH 0.8995
392 RMN 0.8992
393 3VX 0.8992
394 AX7 0.8991
395 XDE 0.8991
396 2K8 0.8990
397 344 0.8989
398 FA0 0.8988
399 2FT 0.8988
400 P7Y 0.8986
401 8HC 0.8985
402 KJU 0.8985
403 AEF 0.8984
404 SHI 0.8984
405 BZE 0.8983
406 DOB 0.8982
407 DGL 0.8981
408 2IT 0.8981
409 PEY 0.8981
410 N0Z 0.8980
411 Y3L 0.8980
412 P80 0.8980
413 4AA 0.8980
414 PKU 0.8980
415 KJH 0.8980
416 DGN 0.8980
417 270 0.8979
418 N91 0.8978
419 CXH 0.8978
420 URS 0.8977
421 DHK 0.8977
422 BHA 0.8977
423 JCZ 0.8977
424 QMP 0.8973
425 7W1 0.8973
426 8D6 0.8972
427 FUD 0.8972
428 7BC 0.8969
429 M3E 0.8968
430 SKA 0.8967
431 P9E 0.8967
432 GJZ 0.8967
433 FTV 0.8967
434 PH2 0.8966
435 BEZ 0.8966
436 TZM 0.8966
437 JBZ 0.8966
438 DTY 0.8966
439 AHN 0.8965
440 R9Y 0.8964
441 EKZ 0.8963
442 MXD 0.8962
443 3C4 0.8960
444 CFA 0.8960
445 36M 0.8960
446 Z5P 0.8958
447 AES 0.8958
448 PFF 0.8957
449 KTA 0.8956
450 7MU 0.8956
451 ESI 0.8955
452 AM4 0.8954
453 K7M 0.8953
454 258 0.8951
455 152 0.8949
456 92P 0.8948
457 5CU 0.8947
458 4TU 0.8946
459 AAN 0.8945
460 717 0.8945
461 ANC 0.8944
462 KTW 0.8943
463 N4E 0.8943
464 THA 0.8942
465 BRH 0.8942
466 IOS 0.8940
467 JA8 0.8940
468 5OO 0.8940
469 M1Z 0.8939
470 56D 0.8939
471 BNF 0.8938
472 KMY 0.8936
473 GGL 0.8935
474 PZI 0.8934
475 EUE 0.8932
476 SKF 0.8931
477 JAE 0.8929
478 5GU 0.8928
479 UFV 0.8927
480 9UL 0.8927
481 2HQ 0.8926
482 VXX 0.8925
483 9FE 0.8923
484 L13 0.8920
485 0W1 0.8918
486 R9J 0.8918
487 8NX 0.8918
488 5NU 0.8918
489 DHI 0.8917
490 NCA 0.8917
491 650 0.8917
492 3YP 0.8915
493 FAN 0.8914
494 AZ9 0.8913
495 ITE 0.8913
496 0FN 0.8910
497 MPK 0.8909
498 45L 0.8908
499 2FX 0.8907
500 HHS 0.8905
501 N8Y 0.8905
502 88L 0.8904
503 SHA 0.8904
504 IAC 0.8904
505 4VY 0.8902
506 PUE 0.8901
507 NYL 0.8900
508 TYE 0.8900
509 4BF 0.8899
510 NDH 0.8898
511 68A 0.8896
512 7MX 0.8895
513 1KP 0.8893
514 AY4 0.8893
515 7MW 0.8892
516 A7N 0.8891
517 268 0.8891
518 M4E 0.8890
519 B85 0.8890
520 S7A 0.8889
521 M2K 0.8888
522 3HG 0.8886
523 DMD 0.8885
524 E0O 0.8883
525 92K 0.8881
526 HPP 0.8880
527 B2Y 0.8880
528 PQS 0.8879
529 86J 0.8878
530 VNL 0.8876
531 5WV 0.8875
532 3PG 0.8874
533 HRM 0.8873
534 4HP 0.8871
535 HNT 0.8871
536 PHI 0.8870
537 JA5 0.8870
538 4CM 0.8869
539 PQM 0.8869
540 GLO 0.8867
541 HWD 0.8867
542 4FA 0.8866
543 EA1 0.8865
544 GCO 0.8865
545 PPT 0.8865
546 K4V 0.8861
547 P92 0.8860
548 A5H 0.8859
549 FQX 0.8859
550 QSH 0.8858
551 BEN 0.8857
552 2K4 0.8856
553 W29 0.8854
554 LDP 0.8854
555 CCU 0.8853
556 KKN 0.8851
557 KYN 0.8849
558 1PS 0.8849
559 NF3 0.8849
560 PRL 0.8848
561 TIH 0.8847
562 PBA 0.8847
563 1X4 0.8846
564 K3D 0.8845
565 HBA 0.8843
566 DHC 0.8841
567 4XF 0.8840
568 9NB 0.8839
569 KLE 0.8837
570 14O 0.8835
571 4Z4 0.8835
572 5H1 0.8834
573 4NP 0.8834
574 QUS 0.8833
575 LL1 0.8833
576 QX4 0.8832
577 4XS 0.8832
578 4JT 0.8832
579 54Z 0.8832
580 6P3 0.8831
581 F69 0.8830
582 F60 0.8830
583 11S 0.8829
584 UN1 0.8828
585 ES7 0.8827
586 5MI 0.8827
587 8U3 0.8825
588 S0W 0.8824
589 XQ0 0.8824
590 ICO 0.8824
591 5XB 0.8822
592 5H6 0.8821
593 S60 0.8821
594 23J 0.8821
595 B40 0.8819
596 GOJ 0.8819
597 FGZ 0.8819
598 APG 0.8819
599 XHP 0.8816
600 H8N 0.8816
601 44W 0.8815
602 QBK 0.8814
603 MTL 0.8813
604 OAA 0.8813
605 X11 0.8812
606 HHR 0.8811
607 12Q 0.8809
608 OVM 0.8808
609 B62 0.8808
610 TWO 0.8806
611 8W9 0.8805
612 AJY 0.8804
613 KYA 0.8804
614 QBS 0.8804
615 4NS 0.8804
616 BGU 0.8802
617 4MB 0.8799
618 MLT 0.8798
619 DIN 0.8798
620 78Y 0.8798
621 2FQ 0.8797
622 EGR 0.8795
623 L15 0.8794
624 XM0 0.8792
625 0FO 0.8792
626 SSC 0.8792
627 URC 0.8791
628 5RO 0.8791
629 1SA 0.8790
630 JMG 0.8790
631 6ME 0.8789
632 GAB 0.8787
633 Z13 0.8787
634 AMQ 0.8785
635 3QM 0.8785
636 PZM 0.8785
637 DYA 0.8783
638 FF2 0.8783
639 AC0 0.8781
640 SMN 0.8781
641 PBC 0.8779
642 86L 0.8777
643 KUF 0.8776
644 GLN 0.8774
645 N9J 0.8774
646 AWE 0.8773
647 6AI 0.8772
648 KLS 0.8771
649 30G 0.8770
650 2O6 0.8769
651 BAM 0.8767
652 PD2 0.8767
653 HG3 0.8765
654 3ID 0.8764
655 RSO 0.8764
656 FQI 0.8763
657 4FF 0.8763
658 CXF 0.8763
659 0N7 0.8761
660 F31 0.8761
661 BIK 0.8759
662 13P 0.8759
663 44V 0.8758
664 0VT 0.8756
665 KMH 0.8756
666 3HB 0.8754
667 H4N 0.8753
668 K80 0.8750
669 3W8 0.8750
670 V1T 0.8749
671 5RN 0.8749
672 SD4 0.8747
673 0FK 0.8747
674 GP9 0.8746
675 NIO 0.8744
676 Q02 0.8744
677 MR1 0.8744
678 FK1 0.8743
679 AZM 0.8742
680 I3A 0.8742
681 5O6 0.8741
682 5TT 0.8739
683 GNM 0.8737
684 6PC 0.8736
685 DAH 0.8736
686 MVN 0.8735
687 2D2 0.8733
688 75K 0.8733
689 535 0.8733
690 BQ2 0.8732
691 LGT 0.8732
692 4VP 0.8731
693 QY9 0.8729
694 PGH 0.8728
695 A5Q 0.8728
696 C2Y 0.8725
697 DQU 0.8724
698 8NY 0.8724
699 HQD 0.8723
700 K7H 0.8723
701 AMR 0.8722
702 49F 0.8721
703 AJV 0.8720
704 OTW 0.8719
705 5QX 0.8719
706 5DL 0.8715
707 CLZ 0.8715
708 QME 0.8714
709 2KA 0.8713
710 YIE 0.8711
711 QWN 0.8709
712 XRS 0.8708
713 LMR 0.8708
714 2AL 0.8706
715 HJ7 0.8706
716 DC5 0.8706
717 5MB 0.8706
718 EE8 0.8704
719 ZYX 0.8703
720 HNM 0.8702
721 8CM 0.8701
722 2PV 0.8700
723 TAG 0.8700
724 5GT 0.8697
725 AVI 0.8696
726 0P6 0.8696
727 FCD 0.8694
728 A7W 0.8693
729 HQT 0.8692
730 GLY GLY 0.8692
731 0FR 0.8691
732 BTM 0.8691
733 PEA 0.8690
734 RHU 0.8689
735 HJH 0.8688
736 DVQ 0.8688
737 42J 0.8687
738 GPF 0.8687
739 UNU 0.8683
740 BZX 0.8681
741 2PK 0.8681
742 3AB 0.8675
743 449 0.8675
744 ISN 0.8675
745 3DM 0.8674
746 MRW 0.8674
747 SEP 0.8673
748 PRA 0.8673
749 DHS 0.8671
750 DCZ 0.8671
751 K82 0.8670
752 HBO 0.8669
753 MXN 0.8668
754 505 0.8668
755 DUR 0.8668
756 ES9 0.8667
757 OVV 0.8665
758 M1A 0.8665
759 PDC 0.8664
760 M78 0.8657
761 GZL 0.8657
762 RP3 0.8656
763 PRF 0.8655
764 THU 0.8655
765 EWG 0.8654
766 NPY 0.8653
767 M6W 0.8652
768 4XV 0.8652
769 G3P 0.8650
770 INE 0.8649
771 TJM 0.8649
772 9FG 0.8649
773 XAZ 0.8648
774 MD6 0.8647
775 H5B 0.8647
776 RBJ 0.8645
777 CS2 0.8643
778 QXW 0.8642
779 3J8 0.8640
780 FWD 0.8636
781 1BN 0.8634
782 49O 0.8634
783 9RW 0.8632
784 4ME 0.8627
785 A4T 0.8624
786 54X 0.8624
787 GPJ 0.8624
788 QUZ 0.8618
789 OMD 0.8618
790 FP1 0.8618
791 G3H 0.8617
792 3NT 0.8616
793 5HN 0.8615
794 VGL 0.8613
795 Y4L 0.8612
796 Q06 0.8609
797 CWM 0.8609
798 NID 0.8609
799 PEP 0.8604
800 CCE 0.8602
801 TOF 0.8601
802 NBZ 0.8600
803 BP3 0.8600
804 OW4 0.8598
805 7WR 0.8598
806 MUK 0.8597
807 4JE 0.8596
808 DNA 0.8596
809 TH7 0.8595
810 ASP 0.8594
811 22L 0.8593
812 IWD 0.8593
813 8WT 0.8592
814 0SY 0.8592
815 ASC 0.8589
816 DS0 0.8587
817 BCK 0.8587
818 7W4 0.8585
819 ROI 0.8585
820 BWD 0.8584
821 4JM 0.8584
822 RKN 0.8583
823 XRX 0.8582
824 DXP 0.8578
825 BTY 0.8575
826 M6N 0.8572
827 8GC 0.8570
828 HMH 0.8569
829 B57 0.8569
830 CWD 0.8568
831 9BF 0.8568
832 PQ0 0.8567
833 PMF 0.8565
834 B4O 0.8565
835 CSN 0.8560
836 S7S 0.8556
837 3HA 0.8552
838 5GV 0.8551
839 N7I 0.8551
840 549 0.8547
841 NGA 0.8541
842 PZA 0.8538
843 0UL 0.8532
844 8H8 0.8528
845 GDL 0.8523
846 PNP 0.8519
847 SAL 0.8512
848 9GB 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6RQ8; Ligand: KEH; 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: 6rq8.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
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