Receptor
PDB id Resolution Class Description Source Keywords
6RQ5 1.55 Å EC: 1.14.-.- CYP121 IN COMPLEX WITH 3,5-DIMETHYL 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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KEB A:402;
 Valid;
 Atoms found MORE than expected: % Diff = 2;
 Kd = 15.1 uM
354.4 C20 H22 N2 O4 Cc1cc...
SO4 A:405;
A:404;
A:407;
A:406;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
HEM A:403;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
MES A:401;
A:401;
 Invalid;
Valid;
 none;
none;
 submit data
195.237 C6 H13 N O4 S C1COC...
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: KEB; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 KEB 1 1
2 YTT 0.695652 0.909091
3 KE2 0.649123 0.977273
4 OUC 0.642857 0.955556
5 KE5 0.627119 0.933333
6 KEQ 0.6 0.891304
7 1G9 0.592593 0.886364
8 1ED 0.592593 0.909091
9 1G7 0.568965 0.891304
10 R2H 0.566667 0.854167
11 Q47 0.55 0.854167
12 KEH 0.540984 0.854167
13 KEW 0.540984 0.854167
14 KEZ 0.507692 0.891304
15 1GB 0.492754 0.816327
16 1G4 0.40625 0.77551
Ligand no: 2; Ligand: MES; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MES 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: KEB; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: MES; Similar ligands found: 452
No: Ligand Similarity coefficient
1 TCA 0.9637
2 PMF 0.9629
3 1X4 0.9602
4 XIZ 0.9579
5 KPA 0.9561
6 RP3 0.9503
7 SYC 0.9491
8 PO6 0.9456
9 FK8 0.9446
10 B85 0.9445
11 PBA 0.9435
12 J0Z 0.9433
13 Q03 0.9420
14 HC4 0.9416
15 CXP 0.9399
16 HCI 0.9389
17 3PG 0.9388
18 N9J 0.9360
19 1PS 0.9341
20 P80 0.9339
21 NFA 0.9329
22 HPP 0.9324
23 PPY 0.9323
24 R9M 0.9320
25 E4P 0.9307
26 DPN 0.9306
27 HPS 0.9304
28 PPT 0.9291
29 LVD 0.9287
30 AHC 0.9283
31 HFA 0.9262
32 LUQ 0.9258
33 HMS 0.9258
34 URO 0.9257
35 S8V 0.9255
36 4ZD 0.9254
37 4HP 0.9252
38 Q04 0.9250
39 AKG 0.9245
40 3S5 0.9241
41 PHE 0.9239
42 HSX 0.9233
43 Q9Z 0.9233
44 M5E 0.9231
45 PAC 0.9229
46 S0W 0.9225
47 HG3 0.9225
48 MF3 0.9224
49 CLT 0.9217
50 9GB 0.9216
51 SMN 0.9210
52 YZM 0.9209
53 HIS 0.9204
54 1BN 0.9198
55 MP5 0.9198
56 GRO 0.9197
57 13P 0.9196
58 TYE 0.9195
59 HPV 0.9191
60 RP5 0.9190
61 SEP 0.9189
62 1L5 0.9187
63 DHC 0.9185
64 PBN 0.9185
65 QMP 0.9181
66 GWM 0.9173
67 LSQ 0.9166
68 3H2 0.9164
69 ICB 0.9163
70 PRA 0.9162
71 FOM 0.9159
72 P7Y 0.9157
73 S7A 0.9155
74 8U3 0.9153
75 PC 0.9153
76 G3H 0.9148
77 F06 0.9146
78 F90 0.9145
79 KYN 0.9143
80 4LR 0.9138
81 61M 0.9135
82 OOG 0.9134
83 N4B 0.9133
84 P58 0.9131
85 PLP 0.9129
86 4LW 0.9127
87 KDG 0.9126
88 GRF 0.9126
89 TZM 0.9126
90 LFC 0.9124
91 GLU 0.9121
92 264 0.9121
93 Q02 0.9121
94 BNF 0.9121
95 9RW 0.9120
96 DER 0.9119
97 268 0.9118
98 HHH 0.9115
99 6FZ 0.9115
100 AHN 0.9114
101 TMG 0.9114
102 DHM 0.9110
103 AT3 0.9110
104 TYC 0.9108
105 3HP 0.9105
106 DHY 0.9105
107 ABF 0.9104
108 IP8 0.9095
109 TYR 0.9092
110 PFF 0.9085
111 DTY 0.9085
112 3YP 0.9078
113 MNN 0.9074
114 2FX 0.9068
115 258 0.9066
116 2JJ 0.9066
117 S2P 0.9064
118 ENO 0.9063
119 TIH 0.9062
120 APG 0.9060
121 DHI 0.9057
122 RLG 0.9057
123 LT1 0.9056
124 33S 0.9055
125 9RH 0.9055
126 G3P 0.9055
127 2HC 0.9051
128 YOF 0.9048
129 8OZ 0.9046
130 HL4 0.9045
131 DAH 0.9044
132 4BF 0.9044
133 PGH 0.9043
134 5OY 0.9038
135 B40 0.9035
136 2UB 0.9031
137 M6H 0.9031
138 SB7 0.9030
139 HIC 0.9027
140 3LR 0.9025
141 DXG 0.9022
142 4TB 0.9022
143 173 0.9015
144 269 0.9015
145 F98 0.9015
146 STT 0.9014
147 CHH 0.9014
148 MXN 0.9014
149 ZON 0.9013
150 B3U 0.9013
151 HXY 0.9013
152 MUC 0.9013
153 DI6 0.9012
154 1DJ 0.9011
155 GLN 0.9011
156 7OD 0.9011
157 Q06 0.9010
158 JFM 0.9009
159 TYL 0.9008
160 5LD 0.9004
161 NCT 0.9003
162 DEZ 0.9003
163 SHI 0.9003
164 OGA 0.9001
165 TZP 0.9000
166 6J5 0.9000
167 11C 0.8998
168 K7M 0.8998
169 IOS 0.8998
170 QY9 0.8997
171 3QO 0.8993
172 PCS 0.8988
173 GLO 0.8986
174 DXP 0.8986
175 AEG 0.8985
176 3QM 0.8980
177 DYT 0.8980
178 B09 0.8978
179 DGL 0.8973
180 ENW 0.8969
181 ARG 0.8969
182 SOR 0.8965
183 2HG 0.8963
184 GCO 0.8962
185 HF2 0.8960
186 DAL DAL 0.8960
187 PHU 0.8960
188 I4B 0.8959
189 27L 0.8957
190 YPN 0.8957
191 NYL 0.8957
192 4TP 0.8954
193 HNL 0.8954
194 MHO 0.8953
195 ISA 0.8952
196 GPJ 0.8951
197 A3M 0.8948
198 GGL 0.8947
199 3C4 0.8944
200 NSB 0.8944
201 HSO 0.8944
202 R2P 0.8942
203 GP9 0.8942
204 PLR 0.8939
205 ONL 0.8939
206 2FM 0.8939
207 56D 0.8938
208 I1E 0.8938
209 M74 0.8928
210 49F 0.8926
211 API 0.8922
212 JZA 0.8921
213 1A7 0.8919
214 S2G 0.8918
215 LYS 0.8914
216 2FT 0.8910
217 SG3 0.8909
218 YIP 0.8906
219 GLR 0.8906
220 0A9 0.8906
221 CYX 0.8904
222 S24 0.8900
223 GPF 0.8899
224 DGN 0.8898
225 DZA 0.8897
226 J4K 0.8897
227 4PN 0.8897
228 PEL 0.8895
229 UA5 0.8894
230 A29 0.8892
231 SAF 0.8887
232 ISZ 0.8885
233 FHC 0.8884
234 152 0.8883
235 TSR 0.8882
236 LDP 0.8882
237 FEH 0.8878
238 2IT 0.8877
239 7C3 0.8876
240 XYH 0.8868
241 CFA 0.8868
242 PHI 0.8868
243 IYR 0.8867
244 SSB 0.8864
245 HY1 0.8863
246 CS2 0.8862
247 URP 0.8861
248 3HG 0.8858
249 HJH 0.8857
250 BTM 0.8857
251 Z70 0.8856
252 ALA ALA 0.8854
253 IAC 0.8854
254 RAT 0.8849
255 FF3 0.8849
256 HNK 0.8848
257 DAR 0.8848
258 DIR 0.8846
259 RMN 0.8845
260 263 0.8844
261 M45 0.8843
262 GJZ 0.8842
263 M72 0.8842
264 EYV 0.8841
265 C82 0.8840
266 TRP 0.8839
267 5XB 0.8837
268 PH3 0.8837
269 GVM 0.8835
270 0L1 0.8832
271 SME 0.8830
272 7BC 0.8829
273 I2E 0.8829
274 OHP 0.8828
275 KMH 0.8827
276 YIE 0.8827
277 MTL 0.8825
278 SYM 0.8824
279 RBJ 0.8822
280 UN1 0.8822
281 9ON 0.8820
282 0OL 0.8819
283 2BX 0.8818
284 TPO 0.8817
285 6HN 0.8817
286 SPA 0.8817
287 3VW 0.8816
288 URS 0.8814
289 9SE 0.8813
290 BRH 0.8813
291 MMS 0.8813
292 0A1 0.8812
293 AG2 0.8812
294 RNS 0.8811
295 R9J 0.8810
296 1HS 0.8808
297 RA7 0.8806
298 BHO 0.8806
299 D5X 0.8802
300 NNH 0.8801
301 PZI 0.8801
302 9BF 0.8800
303 JRB 0.8799
304 HBU 0.8799
305 LLH 0.8798
306 ONH 0.8797
307 GO8 0.8795
308 AL0 0.8795
309 0QW 0.8794
310 26P 0.8791
311 GUA 0.8791
312 PEA 0.8791
313 OTR 0.8790
314 HGA 0.8790
315 KTA 0.8789
316 AFS 0.8787
317 NVU 0.8786
318 OMD 0.8784
319 C5A 0.8784
320 DE3 0.8780
321 IOP 0.8777
322 BPW 0.8776
323 6C5 0.8775
324 15N 0.8773
325 NIZ 0.8772
326 GNW 0.8771
327 41K 0.8771
328 XRX 0.8769
329 LX1 0.8768
330 A09 0.8768
331 6Q3 0.8768
332 TPA 0.8764
333 OJD 0.8760
334 QUS 0.8759
335 CFI 0.8759
336 PSJ 0.8758
337 MLZ 0.8756
338 XI7 0.8756
339 GZ2 0.8754
340 KPC 0.8754
341 MQB 0.8753
342 EYJ 0.8753
343 0OC 0.8745
344 GGB 0.8743
345 JF6 0.8740
346 LL2 0.8736
347 5RP 0.8734
348 YRL 0.8734
349 HHI 0.8732
350 OEG 0.8731
351 TAG 0.8730
352 4FA 0.8729
353 HQ9 0.8726
354 271 0.8724
355 LTL 0.8724
356 RUJ 0.8724
357 6ZX 0.8723
358 FUD 0.8722
359 CLU 0.8721
360 7Q1 0.8721
361 3CR 0.8720
362 MAH 0.8719
363 TZL 0.8718
364 D3G 0.8718
365 0JD 0.8716
366 BCU 0.8715
367 R9S 0.8712
368 NM3 0.8710
369 MZT 0.8706
370 N6C 0.8705
371 ILO 0.8704
372 AEF 0.8703
373 T9G 0.8703
374 HDH 0.8702
375 HWD 0.8700
376 1FD 0.8698
377 R5P 0.8697
378 ICT 0.8697
379 2LT 0.8696
380 SBK 0.8695
381 IVL 0.8693
382 CEE 0.8691
383 BZQ 0.8691
384 TOH 0.8690
385 LNO 0.8690
386 GBN 0.8689
387 4FP 0.8679
388 3PO 0.8677
389 R52 0.8676
390 DS0 0.8675
391 J9T 0.8672
392 6L6 0.8669
393 E79 0.8668
394 3LJ 0.8667
395 XQI 0.8665
396 FBM 0.8665
397 MLY 0.8664
398 NM2 0.8660
399 6DP 0.8659
400 F52 0.8659
401 C53 0.8658
402 7QS 0.8657
403 2D8 0.8656
404 ALE 0.8655
405 5PV 0.8655
406 11X 0.8652
407 CIR 0.8648
408 14W 0.8647
409 40F 0.8645
410 D6G 0.8642
411 ENV 0.8642
412 46P 0.8641
413 1VK 0.8640
414 BSA 0.8640
415 5WZ 0.8640
416 TSS 0.8638
417 SD4 0.8637
418 RQD 0.8636
419 8GL 0.8636
420 HL5 0.8634
421 1GP 0.8633
422 069 0.8630
423 FIX 0.8630
424 CXF 0.8630
425 E0O 0.8625
426 SDD 0.8624
427 PAU 0.8619
428 ACA 0.8614
429 RES 0.8610
430 9W5 0.8604
431 ATX 0.8601
432 2NP 0.8598
433 HX8 0.8594
434 BHH 0.8594
435 DTR 0.8593
436 LNR 0.8589
437 Y4L 0.8589
438 DEW 0.8588
439 54F 0.8581
440 AAN 0.8581
441 ORN 0.8580
442 KMT 0.8572
443 RBL 0.8570
444 GZQ 0.8556
445 RNT 0.8555
446 8EW 0.8555
447 GRQ 0.8555
448 0VT 0.8551
449 HPN 0.8548
450 42J 0.8536
451 PJL 0.8535
452 0XR 0.8521
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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