Receptor
PDB id Resolution Class Description Source Keywords
6VS9 1.84 Å EC: 1.5.1.3 MYCOBACTERIUM TUBERCULOSIS DIHYDROFOLATE REDUCTASE IN COMPLE (PIPERIDIN-1-YLMETHYL)BENZOIC ACID(FRAGMENT 11) MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RA) FOLATE PATHWAY BIOSYNTHETIC PROTEIN
Ref.: USING A FRAGMENT-BASED APPROACH TO IDENTIFY ALTERNA CHEMICAL SCAFFOLDS TARGETING DIHYDROFOLATE REDUCTAS FROMMYCOBACTERIUM TUBERCULOSIS. ACS INFECT DIS. V. 6 2192 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:203;
A:204;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
58.933 Co [Co+2...
PO4 B:203;
A:205;
A:206;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
94.971 O4 P [O-]P...
GOL A:207;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
NAP B:202;
A:202;
 Valid;
Valid;
 none;
none;
 submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
RK4 B:201;
A:201;
 Valid;
Valid;
 none;
none;
 Kd = 3.2 mM
219.28 C13 H17 N O2 c1cc(...
SO4 A:208;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CIG 1.9 Å EC: 1.5.1.3 DIHYDROFOLATE REDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS INHI THE ACYCLIC 4R ISOMER OF INH-NADP A DERIVATIVE OF THE PRODRI SONIAZID. MYCOBACTERIUM TUBERCULOSIS NADP ISONIAZID REDUCTASE INHIBITOR BISUBSTRATE TUBERCULOXIDOREDUCTASE ONE-CARBON METABOLISM
Ref.: MYCOBACTERIUM TUBERCULOSIS DIHYDROFOLATE REDUCTASE TARGET FOR ISONIAZID NAT.STRUCT.MOL.BIOL. V. 13 408 2006
Members (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 6VSF Kd = 2.7 mM RKY C13 H14 O5 c1cc2c(cc1....
2 6VS6 - RKV C9 H8 N2 O3 Cn1c(cc(n1....
3 6NNE Kd = 2.2 uM KUP C13 H16 N4 O2 COc1ccc(cc....
4 6VV7 Kd = 34 uM RPM C22 H21 N3 O3 Cc1ccc2c(c....
5 6VS9 Kd = 3.2 mM RK4 C13 H17 N O2 c1cc(cc(c1....
6 6NNH - 1CY C11 H14 Cl N5 CC1(N=C(N=....
7 6VVB Kd = 0.095 mM RQ4 C17 H11 F3 N2 O2 S Cc1c(cc(c(....
8 2CIG Ki = 1 nM 1DG C27 H33 N8 O18 P3 c1cnccc1C(....
9 1DG8 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 6VSE Kd = 0.5 mM 4RG C14 H12 O3 c1ccc(cc1)....
11 6NND - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
12 6NNI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
13 1DG5 Ki = 88 uM TOP C14 H18 N4 O3 COc1cc(cc(....
14 6VS5 Kd = 641 uM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
15 6VSG - X0V C7 H7 F3 N2 c1cc(c(cc1....
16 6VS8 - RJY C7 H9 N O2 S CCOC(=O)c1....
17 6NNC - LYA C20 H21 N5 O6 c1cc(ccc1C....
18 6VSD Kd = 0.75 mM JBB C12 H10 O2 S2 c1cc(cc(c1....
19 6VV6 Kd = 192 uM RPJ C21 H18 F N3 O3 c1ccc2c(c1....
20 1DF7 Ki = 11 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
21 5JA3 ic50 = 173 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
22 1DG7 Ki = 187 nM WRB C14 H20 Br N5 O2 CC1(N=C(N=....
23 6VV9 - RQ1 C22 H21 N3 O3 c1ccc(cc1)....
70% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 6VSF Kd = 2.7 mM RKY C13 H14 O5 c1cc2c(cc1....
2 6VS6 - RKV C9 H8 N2 O3 Cn1c(cc(n1....
3 6NNE Kd = 2.2 uM KUP C13 H16 N4 O2 COc1ccc(cc....
4 6VV7 Kd = 34 uM RPM C22 H21 N3 O3 Cc1ccc2c(c....
5 6VS9 Kd = 3.2 mM RK4 C13 H17 N O2 c1cc(cc(c1....
6 6NNH - 1CY C11 H14 Cl N5 CC1(N=C(N=....
7 6VVB Kd = 0.095 mM RQ4 C17 H11 F3 N2 O2 S Cc1c(cc(c(....
8 2CIG Ki = 1 nM 1DG C27 H33 N8 O18 P3 c1cnccc1C(....
9 1DG8 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 6VSE Kd = 0.5 mM 4RG C14 H12 O3 c1ccc(cc1)....
11 6NND - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
12 6NNI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
13 1DG5 Ki = 88 uM TOP C14 H18 N4 O3 COc1cc(cc(....
14 6VS5 Kd = 641 uM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
15 6VSG - X0V C7 H7 F3 N2 c1cc(c(cc1....
16 6VS8 - RJY C7 H9 N O2 S CCOC(=O)c1....
17 6NNC - LYA C20 H21 N5 O6 c1cc(ccc1C....
18 6VSD Kd = 0.75 mM JBB C12 H10 O2 S2 c1cc(cc(c1....
19 6VV6 Kd = 192 uM RPJ C21 H18 F N3 O3 c1ccc2c(c1....
20 1DF7 Ki = 11 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
21 5JA3 ic50 = 173 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
22 1DG7 Ki = 187 nM WRB C14 H20 Br N5 O2 CC1(N=C(N=....
23 6VV9 - RQ1 C22 H21 N3 O3 c1ccc(cc1)....
24 4KL9 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
25 4KNE Kd = 1.26 uM 1CY C11 H14 Cl N5 CC1(N=C(N=....
26 4KM2 Kd = 1.43 uM TOP C14 H18 N4 O3 COc1cc(cc(....
27 4KLX - ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
28 4KM0 Kd = 0.91 uM CP6 C12 H13 Cl N4 CCc1c(c(nc....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 6VSF Kd = 2.7 mM RKY C13 H14 O5 c1cc2c(cc1....
2 6VS6 - RKV C9 H8 N2 O3 Cn1c(cc(n1....
3 6NNE Kd = 2.2 uM KUP C13 H16 N4 O2 COc1ccc(cc....
4 6VV7 Kd = 34 uM RPM C22 H21 N3 O3 Cc1ccc2c(c....
5 6VS9 Kd = 3.2 mM RK4 C13 H17 N O2 c1cc(cc(c1....
6 6NNH - 1CY C11 H14 Cl N5 CC1(N=C(N=....
7 6VVB Kd = 0.095 mM RQ4 C17 H11 F3 N2 O2 S Cc1c(cc(c(....
8 2CIG Ki = 1 nM 1DG C27 H33 N8 O18 P3 c1cnccc1C(....
9 1DG8 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 6VSE Kd = 0.5 mM 4RG C14 H12 O3 c1ccc(cc1)....
11 6NND - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
12 6NNI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
13 1DG5 Ki = 88 uM TOP C14 H18 N4 O3 COc1cc(cc(....
14 6VS5 Kd = 641 uM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
15 6VSG - X0V C7 H7 F3 N2 c1cc(c(cc1....
16 6VS8 - RJY C7 H9 N O2 S CCOC(=O)c1....
17 6NNC - LYA C20 H21 N5 O6 c1cc(ccc1C....
18 6VSD Kd = 0.75 mM JBB C12 H10 O2 S2 c1cc(cc(c1....
19 6VV6 Kd = 192 uM RPJ C21 H18 F N3 O3 c1ccc2c(c1....
20 1DF7 Ki = 11 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
21 5JA3 ic50 = 173 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
22 1DG7 Ki = 187 nM WRB C14 H20 Br N5 O2 CC1(N=C(N=....
23 6VV9 - RQ1 C22 H21 N3 O3 c1ccc(cc1)....
24 4KL9 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
25 4KNE Kd = 1.26 uM 1CY C11 H14 Cl N5 CC1(N=C(N=....
26 4KM2 Kd = 1.43 uM TOP C14 H18 N4 O3 COc1cc(cc(....
27 4KLX - ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
28 4KM0 Kd = 0.91 uM CP6 C12 H13 Cl N4 CCc1c(c(nc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAP; Similar ligands found: 140
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 NAD IBO 0.716667 0.972222
8 NAD TDB 0.716667 0.972222
9 A3D 0.712 0.972603
10 NBP 0.707692 0.935065
11 NHD 0.68254 0.958904
12 NJP 0.661417 0.972973
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 AMP NAD 0.606061 0.958904
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 NAJ 0.567164 0.986111
23 A2R 0.563025 0.932432
24 NDC 0.561644 0.922078
25 NA7 0.552846 0.907895
26 ODP 0.551471 0.935065
27 A2P 0.539823 0.930556
28 8ID 0.537313 0.910256
29 NAD BBN 0.525974 0.865854
30 NPW 0.525547 0.8875
31 NZQ 0.521739 0.910256
32 CNA 0.521739 0.959459
33 NAD CJ3 0.519231 0.835294
34 NDP 0.514493 0.922078
35 PO4 PO4 A A A A PO4 0.503937 0.930556
36 1DG 0.503401 0.922078
37 DG1 0.503401 0.922078
38 TXP 0.5 0.922078
39 NMN AMP PO4 0.492958 0.921053
40 XNP 0.492958 0.875
41 25L 0.492308 0.958904
42 25A 0.492063 0.972222
43 NAD NDT 0.490909 0.747368
44 NMN 0.486726 0.888889
45 NGD 0.485714 0.935065
46 9JJ 0.481707 0.8875
47 2AM 0.477876 0.891892
48 NDP DTT 0.461538 0.843373
49 ADP 0.458333 0.945205
50 ADP MG 0.454545 0.944444
51 ADP BEF 0.454545 0.944444
52 A7R 0.452555 0.846154
53 PAP 0.451613 0.931507
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 7L1 0.441558 0.777778
57 ADP PO3 0.44 0.944444
58 AGS 0.44 0.896104
59 ATP MG 0.44 0.944444
60 M33 0.439024 0.906667
61 AR6 AR6 0.438849 0.945205
62 BA3 0.438017 0.945205
63 VO4 ADP 0.4375 0.945946
64 BEF ADP 0.436508 0.918919
65 OAD 0.43609 0.92
66 ADP BMA 0.43609 0.92
67 DQV 0.435714 0.958904
68 HEJ 0.435484 0.945205
69 ATP 0.435484 0.945205
70 OOB 0.435115 0.958904
71 AP5 0.434426 0.945205
72 B4P 0.434426 0.945205
73 GAP 0.433071 0.92
74 0WD 0.432432 0.922078
75 5FA 0.432 0.945205
76 2A5 0.432 0.87013
77 AQP 0.432 0.945205
78 AT4 0.430894 0.907895
79 HQG 0.430769 0.932432
80 00A 0.428571 0.909091
81 8LQ 0.427481 0.907895
82 DAL AMP 0.427481 0.932432
83 CA0 0.427419 0.92
84 ANP MG 0.426357 0.932432
85 ALF ADP 0.426357 0.871795
86 9X8 0.425373 0.871795
87 KG4 0.424 0.92
88 ACP 0.424 0.92
89 NAJ PZO 0.423841 0.897436
90 9SN 0.423358 0.897436
91 WAQ 0.422222 0.884615
92 ACQ 0.421875 0.92
93 V3L 0.421875 0.945205
94 ADQ 0.421053 0.92
95 AR6 0.420635 0.918919
96 APR 0.420635 0.918919
97 ATP A 0.42029 0.958333
98 ATP A A A 0.42029 0.958333
99 CO7 0.419753 0.786517
100 3OD 0.419118 0.92
101 1ZZ 0.419118 0.841463
102 DLL 0.41791 0.958904
103 AD9 0.417323 0.92
104 OVE 0.416667 0.857143
105 NAX 0.416667 0.875
106 QA7 0.416667 0.896104
107 MYR AMP 0.416058 0.841463
108 AV2 0.415385 0.868421
109 A3P 0.414634 0.944444
110 NNR 0.414414 0.72973
111 ALF ADP 3PG 0.413793 0.8625
112 OMR 0.413793 0.831325
113 6YZ 0.412214 0.92
114 ANP 0.410853 0.92
115 A1R 0.410448 0.860759
116 45A 0.409836 0.893333
117 ABM 0.409836 0.893333
118 AMP 0.408333 0.944444
119 A 0.408333 0.944444
120 SON 0.408 0.933333
121 PPS 0.407692 0.829268
122 8LE 0.407692 0.896104
123 5AL 0.407692 0.932432
124 NAI 0.406897 0.909091
125 7D3 0.406504 0.857143
126 AMP MG 0.404959 0.930556
127 ADX 0.404762 0.829268
128 ATF 0.40458 0.907895
129 3UK 0.404412 0.945946
130 AMP DBH 0.404255 0.894737
131 139 0.402685 0.875
132 50T 0.401575 0.906667
133 8LH 0.401515 0.907895
134 SRP 0.401515 0.907895
135 B5V 0.40146 0.933333
136 3AM 0.4 0.90411
137 B5M 0.4 0.921053
138 A3R 0.4 0.860759
139 KMQ 0.4 0.883117
140 FA5 0.4 0.933333
Ligand no: 2; Ligand: RK4; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RK4 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: NAP; Similar ligands found: 4
No: Ligand Similarity coefficient
1 TXD 0.9146
2 6V0 0.9079
3 AP0 0.8967
4 TXE 0.8646
Ligand no: 2; Ligand: RK4; Similar ligands found: 349
No: Ligand Similarity coefficient
1 536 0.9902
2 531 0.9796
3 VJJ 0.9793
4 0OO 0.9746
5 7VY 0.9680
6 0OP 0.9479
7 9X3 0.9454
8 3EB 0.9443
9 HHV 0.9441
10 EXG 0.9413
11 N1Y 0.9413
12 LI7 0.9406
13 FNA 0.9368
14 3D8 0.9355
15 H35 0.9349
16 R9G 0.9333
17 5F8 0.9331
18 JF5 0.9325
19 QTV 0.9323
20 NFZ 0.9320
21 IM4 0.9319
22 C4E 0.9301
23 IWH 0.9297
24 QTS 0.9293
25 NIY 0.9284
26 0OM 0.9283
27 EMU 0.9274
28 HLP 0.9270
29 B5A 0.9258
30 LI4 0.9258
31 0FS 0.9249
32 VM1 0.9238
33 BZM 0.9237
34 AX8 0.9233
35 JSX 0.9223
36 108 0.9220
37 WCU 0.9220
38 54F 0.9217
39 6C5 0.9217
40 6MW 0.9215
41 CUT 0.9206
42 IQQ 0.9204
43 12R 0.9201
44 5FL 0.9199
45 LVB 0.9194
46 PTB 0.9194
47 7ZL 0.9190
48 9F5 0.9190
49 9RM 0.9188
50 B4L 0.9186
51 TH4 0.9178
52 AEY 0.9176
53 C0Y 0.9176
54 MH5 0.9172
55 E9P 0.9171
56 F91 0.9165
57 LR2 0.9161
58 GNW 0.9155
59 DCN 0.9148
60 A4V 0.9147
61 BC3 0.9145
62 Q4G 0.9136
63 TRP 0.9133
64 1AJ 0.9130
65 ZEZ 0.9126
66 S8P 0.9125
67 JGY 0.9116
68 F63 0.9113
69 CMG 0.9110
70 JBB 0.9109
71 00G 0.9108
72 Q9P 0.9106
73 UKV 0.9105
74 0QV 0.9104
75 A18 0.9104
76 XI7 0.9101
77 NKI 0.9098
78 HA6 0.9097
79 1ZC 0.9096
80 PZX 0.9091
81 9JT 0.9090
82 HO6 0.9086
83 UAY 0.9083
84 7ZO 0.9076
85 4GU 0.9073
86 9VQ 0.9067
87 1Q4 0.9065
88 WA2 0.9064
89 DE7 0.9064
90 CX5 0.9061
91 WLH 0.9056
92 QJA 0.9053
93 S7V 0.9052
94 AVA 0.9049
95 TCW 0.9049
96 MW5 0.9047
97 0K7 0.9047
98 PW1 0.9045
99 6DQ 0.9043
100 69K 0.9042
101 C0H 0.9036
102 AUV 0.9035
103 MQS 0.9034
104 5TO 0.9031
105 VBC 0.9030
106 NQ7 0.9028
107 ON1 0.9026
108 MJ5 0.9024
109 FPL 0.9023
110 M02 0.9019
111 4EU 0.9017
112 A7Q 0.9015
113 39Z 0.9015
114 OJD 0.9011
115 23N 0.9006
116 CH8 0.9004
117 ZIP 0.9002
118 QUB 0.9002
119 9E3 0.9002
120 M01 0.9000
121 TR7 0.8998
122 FY8 0.8997
123 CUQ 0.8996
124 S1D 0.8993
125 1XS 0.8992
126 4RG 0.8989
127 C4F 0.8988
128 RVE 0.8982
129 SCE 0.8975
130 U14 0.8970
131 3WK 0.8969
132 6J9 0.8968
133 TZM 0.8968
134 6XC 0.8967
135 ADN 0.8965
136 14W 0.8963
137 XEN 0.8962
138 HH6 0.8959
139 HVE 0.8959
140 FVY 0.8957
141 LTN 0.8952
142 WVV 0.8951
143 ZEA 0.8950
144 B41 0.8950
145 9JH 0.8945
146 6NZ 0.8941
147 SZA 0.8941
148 7VF 0.8940
149 MUK 0.8936
150 4FF 0.8934
151 CX4 0.8930
152 BB4 0.8929
153 A9B 0.8920
154 2L1 0.8918
155 5AV 0.8917
156 NWD 0.8916
157 RE4 0.8916
158 X2M 0.8906
159 LJ4 0.8905
160 4VT 0.8904
161 4P8 0.8902
162 56N 0.8902
163 0RY 0.8901
164 SOJ 0.8900
165 9W5 0.8900
166 S7D 0.8898
167 5VU 0.8898
168 6HO 0.8892
169 5WN 0.8891
170 49P 0.8889
171 K48 0.8884
172 HWH 0.8883
173 NIP 0.8879
174 JE7 0.8879
175 TCL 0.8878
176 KWB 0.8876
177 4FP 0.8874
178 MNP 0.8872
179 IQP 0.8870
180 MQR 0.8864
181 LHY 0.8863
182 QC1 0.8861
183 ASE 0.8861
184 50Q 0.8857
185 DBE 0.8855
186 NWL 0.8854
187 9ME 0.8846
188 5R9 0.8844
189 RDV 0.8841
190 P4T 0.8839
191 TI7 0.8838
192 L12 0.8837
193 272 0.8836
194 67Y 0.8835
195 092 0.8834
196 3IP 0.8834
197 SQV 0.8833
198 9AG 0.8830
199 NPA 0.8827
200 1SF 0.8827
201 1FL 0.8826
202 0LO 0.8825
203 4WF 0.8825
204 11X 0.8825
205 MMS 0.8819
206 ML1 0.8818
207 6C4 0.8817
208 O2Q 0.8813
209 AC2 0.8812
210 JA3 0.8810
211 AZY 0.8808
212 HX8 0.8807
213 CQW 0.8806
214 ALA PHE 0.8803
215 2KU 0.8803
216 RCV 0.8803
217 TQ3 0.8801
218 H7S 0.8801
219 W1G 0.8798
220 NXB 0.8796
221 AX5 0.8796
222 47V 0.8796
223 ZYV 0.8795
224 M5H 0.8795
225 BGK 0.8794
226 ONZ 0.8792
227 4E5 0.8791
228 1BW 0.8786
229 A8K 0.8785
230 AX4 0.8785
231 QS4 0.8782
232 LFQ 0.8782
233 GJG 0.8781
234 XYP XYP 0.8777
235 AUY 0.8777
236 DJL 0.8777
237 FT3 0.8775
238 FT1 0.8772
239 2L2 0.8772
240 P2L 0.8770
241 D4G 0.8768
242 LL2 0.8767
243 YE6 0.8766
244 U12 0.8765
245 FB4 0.8762
246 EUH 0.8760
247 3WO 0.8755
248 3WN 0.8755
249 XYP XIM 0.8751
250 BDJ 0.8748
251 60L 0.8746
252 X29 0.8745
253 G8V 0.8745
254 CBE 0.8745
255 TQ4 0.8744
256 ARJ 0.8743
257 6DH 0.8742
258 7NU 0.8737
259 27M 0.8734
260 TMG 0.8733
261 PV4 0.8732
262 SE5 0.8728
263 6PG 0.8728
264 GAA 0.8728
265 TPM 0.8727
266 GLA BEZ 0.8725
267 S46 0.8721
268 CMU 0.8720
269 S8G 0.8719
270 TCC 0.8719
271 9KL 0.8716
272 0OY 0.8716
273 3CA 0.8716
274 4G2 0.8713
275 GZ2 0.8712
276 QEI 0.8709
277 2N0 0.8703
278 7QY 0.8701
279 EAJ 0.8698
280 7M2 0.8694
281 SX3 0.8690
282 P1Y 0.8682
283 LRT 0.8681
284 1OQ 0.8680
285 6FR 0.8678
286 UN3 0.8677
287 XEV 0.8677
288 FT2 0.8677
289 I0D 0.8672
290 PFT 0.8668
291 EQW 0.8666
292 II4 0.8665
293 3AD 0.8662
294 KTM 0.8661
295 IQU 0.8655
296 SB7 0.8652
297 1ER 0.8652
298 D87 0.8647
299 0A1 0.8646
300 IAG 0.8646
301 AHL 0.8645
302 8M5 0.8644
303 MTA 0.8643
304 P80 0.8638
305 C0W 0.8631
306 T03 0.8625
307 3TC 0.8625
308 NNR 0.8624
309 BXZ 0.8624
310 AD3 0.8623
311 PV1 0.8621
312 BZS 0.8618
313 2JX 0.8617
314 NOC 0.8614
315 KPV 0.8611
316 AMR 0.8609
317 33S 0.8605
318 CW6 0.8604
319 NOS 0.8604
320 M5P 0.8594
321 3KJ 0.8594
322 PAL 0.8590
323 XG1 0.8589
324 ZKW 0.8581
325 CWD 0.8579
326 LTT 0.8575
327 LQG 0.8574
328 FCD 0.8572
329 QNI 0.8571
330 S0F 0.8570
331 IDZ 0.8569
332 7W7 0.8568
333 XQI 0.8564
334 BZQ 0.8563
335 1QP 0.8562
336 LDC 0.8562
337 DA2 0.8556
338 7BX 0.8555
339 EZN 0.8551
340 FYJ 0.8548
341 BVS 0.8546
342 DFV 0.8545
343 AED 0.8544
344 DCZ 0.8544
345 ING 0.8539
346 FC2 0.8525
347 0GA 0.8524
348 DS8 0.8524
349 DBS 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CIG; Ligand: 1DG; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 2cig.bio1) has 68 residues
No: Leader PDB Ligand Sequence Similarity
1 3NRR D16 21.3836
2 3NRR NAP 21.3836
3 3NRR NAP 21.3836
4 3NRR D16 21.3836
5 5DXV NAP 37.1795
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