Receptor
PDB id Resolution Class Description Source Keywords
1ASC 2.4 Å EC: 2.6.1.1 THE STRUCTURAL BASIS FOR THE REDUCED ACTIVITY OF THE D223A(D ACTIVE SITE MUTANT OF E. COLI ASPARTATE AMINOTRANSFERASE ESCHERICHIA COLI AMINOTRANSFERASE
Ref.: THE STRUCTURAL BASIS FOR THE REDUCED ACTIVITY OF TH D223A(D222A) ACTIVE SITE MUTANT OF E. COLI ASPARTAT AMINOTRANSFERASE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NPL A:409;
 Valid;
 none;
 submit data
263.208 C9 H16 N2 O5 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TOI 1.9 Å EC: 2.6.1.1 HYDROCINNAMIC ACID-BOUND STRUCTURE OF HEXAMUTANT + A293D MUT COLI ASPARTATE AMINOTRANSFERASE ESCHERICHIA COLI ASPARTATE AMINOTRANSFERASE HEXAMUTANT TRANSFERASE
Ref.: NARROWING SUBSTRATE SPECIFICITY IN A DIRECTLY EVOLV ENZYME: THE A293D MUTANT OF ASPARTATE AMINOTRANSFER BIOCHEMISTRY V. 43 12780 2004
Members (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1X2A - PDG C13 H19 N2 O9 P Cc1c(c(c(c....
2 1CZE Kd = 2.4 mM SIN C4 H6 O4 C(CC(=O)O)....
3 1AHX Kd = 120 uM HCI C9 H10 O2 c1ccc(cc1)....
4 3PAA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 3QPG - 3QP C13 H16 N O9 P Cc1ccc(c(c....
6 1QIT - MAE C4 H4 O4 C(=C/C(=O)....
7 2QBT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
8 1TOI Kd = 0.09 mM HCI C9 H10 O2 c1ccc(cc1)....
9 1ASC - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
10 1ASA - MAE C4 H4 O4 C(=C/C(=O)....
11 1ARH - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
12 1CZC Kd = 1.5 mM GUA C5 H8 O4 C(CC(=O)O)....
13 1X29 - PMG C14 H21 N2 O9 P Cc1c(c(c(c....
14 1QIS - MAE C4 H4 O4 C(=C/C(=O)....
15 1AMQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
16 4A00 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
17 1IX7 - MAE C4 H4 O4 C(=C/C(=O)....
18 1AMR - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
19 1TOK Kd = 3.4 mM MAE C4 H4 O4 C(=C/C(=O)....
20 1ASM - MAE C4 H4 O4 C(=C/C(=O)....
21 5VWQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
22 1AHG - TYR PLP n/a n/a
23 5VWR - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
24 1AHF - IOP C11 H11 N O2 c1ccc2c(c1....
25 2QB2 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
26 3ZZK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
27 3PA9 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
28 1B4X - MAE C4 H4 O4 C(=C/C(=O)....
29 1X28 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
30 1YOO - IVA C5 H10 O2 CC(C)CC(=O....
31 1TOJ Kd = 0.41 mM HCI C9 H10 O2 c1ccc(cc1)....
32 1SPA - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
33 2Q7W - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
34 1TOG Kd = 0.6 mM HCI C9 H10 O2 c1ccc(cc1)....
35 4DBC - 3QP C13 H16 N O9 P Cc1ccc(c(c....
36 1AIA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
37 1ART - PLP 0A0 n/a n/a
38 1CQ7 - PY5 C13 H21 N2 O7 P CCC[C@@H](....
39 1ASD - MAE C4 H4 O4 C(=C/C(=O)....
40 1C9C - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
41 1CQ8 - PY6 C14 H23 N2 O7 P CCCC[C@@H]....
42 2QA3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
43 1QIR - MAE C4 H4 O4 C(=C/C(=O)....
44 1ARG - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
45 1AIC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
46 1AHY Kd = 440 uM MAE C4 H4 O4 C(=C/C(=O)....
47 2QB3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
70% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1X2A - PDG C13 H19 N2 O9 P Cc1c(c(c(c....
2 1CZE Kd = 2.4 mM SIN C4 H6 O4 C(CC(=O)O)....
3 1AHX Kd = 120 uM HCI C9 H10 O2 c1ccc(cc1)....
4 3PAA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 3QPG - 3QP C13 H16 N O9 P Cc1ccc(c(c....
6 1QIT - MAE C4 H4 O4 C(=C/C(=O)....
7 2QBT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
8 1TOI Kd = 0.09 mM HCI C9 H10 O2 c1ccc(cc1)....
9 1ASC - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
10 1ASA - MAE C4 H4 O4 C(=C/C(=O)....
11 1ARH - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
12 1CZC Kd = 1.5 mM GUA C5 H8 O4 C(CC(=O)O)....
13 1X29 - PMG C14 H21 N2 O9 P Cc1c(c(c(c....
14 1QIS - MAE C4 H4 O4 C(=C/C(=O)....
15 1AMQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
16 4A00 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
17 1IX7 - MAE C4 H4 O4 C(=C/C(=O)....
18 1AMR - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
19 1TOK Kd = 3.4 mM MAE C4 H4 O4 C(=C/C(=O)....
20 1ASM - MAE C4 H4 O4 C(=C/C(=O)....
21 5VWQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
22 1AHG - TYR PLP n/a n/a
23 5VWR - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
24 1AHF - IOP C11 H11 N O2 c1ccc2c(c1....
25 2QB2 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
26 3ZZK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
27 3PA9 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
28 1B4X - MAE C4 H4 O4 C(=C/C(=O)....
29 1X28 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
30 1YOO - IVA C5 H10 O2 CC(C)CC(=O....
31 1TOJ Kd = 0.41 mM HCI C9 H10 O2 c1ccc(cc1)....
32 1SPA - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
33 2Q7W - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
34 1TOG Kd = 0.6 mM HCI C9 H10 O2 c1ccc(cc1)....
35 4DBC - 3QP C13 H16 N O9 P Cc1ccc(c(c....
36 1AIA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
37 1ART - PLP 0A0 n/a n/a
38 1CQ7 - PY5 C13 H21 N2 O7 P CCC[C@@H](....
39 1ASD - MAE C4 H4 O4 C(=C/C(=O)....
40 1C9C - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
41 1CQ8 - PY6 C14 H23 N2 O7 P CCCC[C@@H]....
42 2QA3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
43 1QIR - MAE C4 H4 O4 C(=C/C(=O)....
44 1ARG - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
45 1AIC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
46 1AHY Kd = 440 uM MAE C4 H4 O4 C(=C/C(=O)....
47 2QB3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
50% Homology Family (72)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2AY8 Kd = 5.8 mM 4TB C8 H10 O2 S c1cc(sc1)C....
2 2AY4 Kd = 1.24 mM PPT C10 H12 O2 Cc1ccc(cc1....
3 2AY7 Kd = 5 mM CLT C10 H12 O2 c1ccc(cc1)....
4 2AY3 Kd = 0.28 mM MPP C11 H14 O4 COc1ccc(cc....
5 1AY8 - HCI C9 H10 O2 c1ccc(cc1)....
6 1AY5 - MAE C4 H4 O4 C(=C/C(=O)....
7 2AY9 Kd = 6.9 mM 5PV C11 H14 O2 c1ccc(cc1)....
8 2AY6 Kd = 0.78 mM 3IB C12 H13 N O2 c1ccc2c(c1....
9 2AY2 Kd = 13.1 mM CXP C9 H16 O2 C1CCC(CC1)....
10 2AY5 Kd = 2.6 mM IOP C11 H11 N O2 c1ccc2c(c1....
11 2AY1 Kd = 5.14 mM AHC C9 H11 N O2 c1cc(ccc1C....
12 1X2A - PDG C13 H19 N2 O9 P Cc1c(c(c(c....
13 1CZE Kd = 2.4 mM SIN C4 H6 O4 C(CC(=O)O)....
14 1AHX Kd = 120 uM HCI C9 H10 O2 c1ccc(cc1)....
15 3PAA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
16 3QPG - 3QP C13 H16 N O9 P Cc1ccc(c(c....
17 1QIT - MAE C4 H4 O4 C(=C/C(=O)....
18 2QBT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
19 1TOI Kd = 0.09 mM HCI C9 H10 O2 c1ccc(cc1)....
20 1ASC - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
21 1ASA - MAE C4 H4 O4 C(=C/C(=O)....
22 1ARH - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
23 1CZC Kd = 1.5 mM GUA C5 H8 O4 C(CC(=O)O)....
24 1X29 - PMG C14 H21 N2 O9 P Cc1c(c(c(c....
25 1QIS - MAE C4 H4 O4 C(=C/C(=O)....
26 1AMQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
27 4A00 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
28 1IX7 - MAE C4 H4 O4 C(=C/C(=O)....
29 1AMR - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
30 1TOK Kd = 3.4 mM MAE C4 H4 O4 C(=C/C(=O)....
31 1ASM - MAE C4 H4 O4 C(=C/C(=O)....
32 5VWQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
33 1AHG - TYR PLP n/a n/a
34 5VWR - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
35 1AHF - IOP C11 H11 N O2 c1ccc2c(c1....
36 2QB2 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
37 3ZZK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
38 3PA9 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
39 1B4X - MAE C4 H4 O4 C(=C/C(=O)....
40 1X28 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
41 1YOO - IVA C5 H10 O2 CC(C)CC(=O....
42 1TOJ Kd = 0.41 mM HCI C9 H10 O2 c1ccc(cc1)....
43 1SPA - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
44 2Q7W - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
45 1TOG Kd = 0.6 mM HCI C9 H10 O2 c1ccc(cc1)....
46 4DBC - 3QP C13 H16 N O9 P Cc1ccc(c(c....
47 1AIA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
48 1ART - PLP 0A0 n/a n/a
49 1CQ7 - PY5 C13 H21 N2 O7 P CCC[C@@H](....
50 1ASD - MAE C4 H4 O4 C(=C/C(=O)....
51 1C9C - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
52 1CQ8 - PY6 C14 H23 N2 O7 P CCCC[C@@H]....
53 2QA3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
54 1QIR - MAE C4 H4 O4 C(=C/C(=O)....
55 1ARG - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
56 1AIC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
57 1AHY Kd = 440 uM MAE C4 H4 O4 C(=C/C(=O)....
58 2QB3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
59 1MAP - KET C12 H16 N2 O9 P Cc1c(c(c(c....
60 1AKC - PPE C13 H20 N2 O9 P Cc1c(c(c(c....
61 1AMA - PLA C13 H19 N2 O9 P Cc1c(c(c(c....
62 1AKB - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
63 1IVR - CBA C12 H17 N2 O11 P Cc1c(c(c(c....
64 1AKA - PLP C8 H10 N O6 P Cc1c(c(c(c....
65 1MAQ - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
66 9AAT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
67 1OXP - IK2 C10 H15 N2 O8 P Cc1c(c(c(c....
68 1OXO - IK2 C10 H15 N2 O8 P Cc1c(c(c(c....
69 4RKC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
70 2CST - MAE C4 H4 O4 C(=C/C(=O)....
71 1YAA - MAE C4 H4 O4 C(=C/C(=O)....
72 6DND - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NPL; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 NPL 1 1
2 MPL 0.526316 0.83871
3 PMP 0.45 0.898305
Similar Ligands (3D)
Ligand no: 1; Ligand: NPL; Similar ligands found: 371
No: Ligand Similarity coefficient
1 PLP 0.9683
2 PXP 0.9683
3 G6P 0.9626
4 BG6 0.9586
5 4R1 0.9530
6 1QV 0.9509
7 GLP 0.9501
8 NBV 0.9448
9 GT1 0.9434
10 PZP 0.9420
11 PLP PMP 0.9420
12 M6P 0.9402
13 6HP 0.9336
14 QIF 0.9330
15 PLR 0.9290
16 A6P 0.9289
17 3LJ 0.9250
18 X04 0.9246
19 F6P 0.9245
20 M6D 0.9242
21 P0P 0.9181
22 GI1 0.9153
23 3M8 0.9130
24 STT 0.9124
25 D6G 0.9120
26 BGP 0.9109
27 RGG 0.9107
28 MP5 0.9106
29 TWB 0.9102
30 K25 0.9092
31 96R 0.9085
32 T6Z 0.9085
33 GI4 0.9082
34 QMS 0.9082
35 GI3 0.9077
36 MIG 0.9067
37 AMR 0.9063
38 F52 0.9060
39 SBK 0.9058
40 SXX 0.9056
41 L21 0.9046
42 5WN 0.9042
43 MUX 0.9041
44 TA6 0.9037
45 9F8 0.9031
46 96U 0.9029
47 KED 0.9023
48 N2M 0.9011
49 MTS 0.9008
50 NTF 0.9006
51 YO5 0.8994
52 EVO 0.8993
53 X0T 0.8990
54 5P3 0.8988
55 M3Q 0.8985
56 F5C 0.8985
57 JYT 0.8974
58 DXK 0.8973
59 MBP 0.8967
60 3GX 0.8967
61 A1Y 0.8964
62 JXK 0.8962
63 LQG 0.8957
64 2JK 0.8953
65 AZC 0.8952
66 SG2 0.8950
67 O2Y 0.8948
68 CHQ 0.8945
69 5NN 0.8945
70 8RK 0.8944
71 2GQ 0.8936
72 IL5 0.8935
73 TU0 0.8930
74 SG6 0.8929
75 NW1 0.8928
76 B61 0.8926
77 JYK 0.8924
78 P9T 0.8924
79 I59 0.8918
80 GC2 0.8912
81 CR1 0.8909
82 3Y7 0.8907
83 JP2 0.8906
84 JXT 0.8906
85 2T4 0.8906
86 J5B 0.8904
87 TOM 0.8902
88 5WT 0.8897
89 ZIP 0.8895
90 1X8 0.8894
91 IOS 0.8894
92 NQH 0.8891
93 9GP 0.8891
94 YKG 0.8890
95 JHY 0.8890
96 8Y7 0.8889
97 4MX 0.8888
98 G1P 0.8887
99 PVQ 0.8887
100 NIY 0.8887
101 5V7 0.8884
102 790 0.8881
103 AJD 0.8877
104 HBI 0.8877
105 5OO 0.8875
106 EY7 0.8873
107 I4D 0.8872
108 5WM 0.8869
109 CMU 0.8866
110 PTS 0.8866
111 ARP 0.8864
112 982 0.8861
113 2VQ 0.8858
114 AKD 0.8858
115 L8J 0.8856
116 CX4 0.8856
117 Q5M 0.8855
118 22T 0.8855
119 4GP 0.8854
120 XFE 0.8853
121 67Y 0.8851
122 GPM 0.8850
123 EYM 0.8850
124 CPW 0.8850
125 3DT 0.8850
126 JR2 0.8849
127 SNY 0.8847
128 3RI 0.8838
129 MFR 0.8837
130 FWD 0.8836
131 4KL 0.8833
132 FER 0.8830
133 LIP 0.8828
134 7ZL 0.8827
135 5GT 0.8826
136 IBC 0.8825
137 1VQ 0.8825
138 89J 0.8824
139 HPT 0.8824
140 CTE 0.8824
141 NWD 0.8824
142 2LX 0.8822
143 IPD 0.8821
144 EYA 0.8821
145 BY5 0.8821
146 JY2 0.8821
147 GRX 0.8821
148 IWD 0.8820
149 K37 0.8816
150 L07 0.8815
151 3B4 0.8814
152 A5P 0.8813
153 ETS 0.8810
154 5WU 0.8809
155 QUB 0.8809
156 IPT 0.8809
157 GTV 0.8809
158 F1X 0.8806
159 IOP 0.8805
160 H4B 0.8803
161 GZV 0.8800
162 56N 0.8799
163 TRP 0.8798
164 8WZ 0.8798
165 P4L 0.8797
166 9BF 0.8796
167 54X 0.8796
168 FUZ 0.8796
169 TQU 0.8792
170 OX2 0.8791
171 25O 0.8790
172 UXH 0.8790
173 BWD 0.8790
174 NPA 0.8789
175 7MX 0.8789
176 M9N 0.8789
177 B56 0.8787
178 6PB 0.8785
179 H2B 0.8784
180 6DP 0.8784
181 F40 0.8782
182 5WS 0.8779
183 AC2 0.8779
184 FUJ 0.8778
185 CWD 0.8778
186 GA2 0.8774
187 B2E 0.8774
188 CL9 0.8772
189 7AP 0.8772
190 8HH 0.8772
191 UQ1 0.8772
192 R4E 0.8771
193 4Z9 0.8771
194 GJK 0.8767
195 V1T 0.8767
196 GNG 0.8763
197 7L4 0.8761
198 NYJ 0.8760
199 22L 0.8759
200 HA6 0.8759
201 NBG 0.8758
202 CG8 0.8757
203 CKA 0.8757
204 H35 0.8756
205 SKF 0.8754
206 NFK 0.8751
207 BIO 0.8748
208 L3L 0.8747
209 EV2 0.8747
210 P9I 0.8746
211 PE2 0.8746
212 CFA 0.8746
213 96Z 0.8746
214 XJE 0.8744
215 QZ8 0.8744
216 LP8 0.8741
217 KG1 0.8740
218 ZON 0.8739
219 4KR 0.8739
220 KLV 0.8736
221 W8G 0.8735
222 15A 0.8734
223 ONZ 0.8733
224 2AN 0.8731
225 S0G 0.8731
226 DK1 0.8730
227 KYA 0.8729
228 EBQ 0.8725
229 F95 0.8723
230 B4O 0.8721
231 EXD 0.8719
232 6GP 0.8718
233 8HG 0.8718
234 78P 0.8716
235 NEU 0.8712
236 28S 0.8712
237 IDD 0.8710
238 DTR 0.8709
239 M5H 0.8708
240 M4B 0.8706
241 HSX 0.8703
242 PYU 0.8701
243 S0I 0.8696
244 K68 0.8696
245 C4E 0.8694
246 EV3 0.8692
247 JTF 0.8689
248 ABF 0.8688
249 5E4 0.8686
250 M3W 0.8684
251 ZSP 0.8684
252 2NJ 0.8684
253 SYR 0.8680
254 SJK 0.8678
255 7M5 0.8677
256 8MP 0.8676
257 DBS 0.8675
258 AVX 0.8675
259 5OF 0.8674
260 OSB 0.8672
261 KOM 0.8670
262 TXW 0.8668
263 2LT 0.8665
264 3IL 0.8664
265 K3Q 0.8661
266 MD6 0.8661
267 LL1 0.8660
268 9E3 0.8659
269 3WJ 0.8659
270 GXD 0.8658
271 DHC 0.8658
272 NAG 0.8657
273 XG1 0.8656
274 RVE 0.8655
275 CLU 0.8654
276 N7I 0.8651
277 68A 0.8651
278 ZYW 0.8650
279 D87 0.8650
280 LTN 0.8649
281 C1F 0.8649
282 BB4 0.8649
283 CKX 0.8648
284 DAH 0.8648
285 0Q2 0.8647
286 K44 0.8645
287 M3F 0.8645
288 S7G 0.8644
289 D80 0.8644
290 FF2 0.8643
291 11G 0.8642
292 2K8 0.8642
293 IBM 0.8640
294 7M2 0.8640
295 MUR 0.8639
296 55D 0.8639
297 7NU 0.8637
298 THM 0.8637
299 DX7 0.8634
300 MPU 0.8631
301 SRO 0.8629
302 FYJ 0.8628
303 ESI 0.8627
304 KWB 0.8626
305 TSR 0.8625
306 VT3 0.8625
307 5GL 0.8623
308 W8L 0.8622
309 2HC 0.8621
310 CDJ 0.8620
311 KTW 0.8619
312 HBO 0.8616
313 KYN 0.8614
314 ZME 0.8614
315 F06 0.8613
316 2O6 0.8611
317 P2L 0.8610
318 MPP 0.8608
319 C09 0.8607
320 MW5 0.8607
321 ITW 0.8607
322 8G6 0.8606
323 OAI 0.8604
324 APS 0.8604
325 FNA 0.8603
326 BK9 0.8602
327 JF2 0.8601
328 52F 0.8599
329 3D1 0.8597
330 TB8 0.8597
331 KFN 0.8592
332 DER 0.8592
333 5DN 0.8591
334 YEX 0.8589
335 PMM 0.8589
336 I2E 0.8585
337 JTA 0.8585
338 0FK 0.8583
339 PW1 0.8581
340 COL 0.8579
341 WLH 0.8578
342 7I2 0.8578
343 GNV 0.8575
344 6J9 0.8575
345 57D 0.8574
346 MCY 0.8572
347 2KU 0.8572
348 P7Y 0.8572
349 A4V 0.8570
350 YE7 0.8570
351 5AD 0.8568
352 B23 0.8566
353 MMS 0.8565
354 H2W 0.8564
355 5I5 0.8561
356 1V4 0.8560
357 JAK 0.8559
358 MFZ 0.8558
359 YX1 0.8554
360 RUG 0.8554
361 8GK 0.8549
362 1BW 0.8548
363 512 0.8548
364 977 0.8541
365 1V3 0.8540
366 E9L 0.8540
367 2QU 0.8535
368 692 0.8534
369 LWS 0.8532
370 HWD 0.8524
371 IQZ 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TOI; Ligand: HCI; 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: 1toi.bio1) has 75 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1TOI; Ligand: HCI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1toi.bio1) has 75 residues
No: Leader PDB Ligand Sequence Similarity
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